4-[[3-[2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethoxycarbonyl]-2-oxidanyl-naphthalen-1-yl]methyl]-3-oxidanyl-naphthalene-2-carboxylic acid

Systemtic Name: 4-[[3-[2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethoxycarbonyl]-2-oxidanyl-naphthalen-1-yl]methyl]-3-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 4-[[3-[2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethoxycarbonyl]-2-hydroxy-1-naphthyl]methyl]-3-hydroxy-naphthalene-2-carboxylic acid CAS Name: 4-[[3-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]ethoxy-oxomethyl]-2-hydroxy-1-naphthalenyl]methyl]-3-hydroxy-2-naphthalenecarboxylic acid IUPAC Name: 4-[[3-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxycarbonyl]-2-hydroxynaphthalen-1-yl]methyl]-3-hydroxynaphthalene-2-carboxylic acid Traditional Name: 4-[[3-[2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]ethoxycarbonyl]-2-hydroxy-1-naphthyl]methyl]-3-hydroxy-2-naphthoic acid Formula: C44H41ClN2O7 MolecularWeight: 745.25854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOCCOC(=O)C2=CC3=CC=CC=C3C(=C2O)CC4=C(C(=CC5=CC=CC=C54)C(=O)O)O)C(C6=CC=CC=C6)C7=CC=C(C=C7)Cl

Isomeric SMILES

C1CN(CCN1CCOCCOC(=O)C2=CC3=CC=CC=C3C(=C2O)CC4=C(C(=CC5=CC=CC=C54)C(=O)O)O)C(C6=CC=CC=C6)C7=CC=C(C=C7)Cl

InChI

InChI=1S/C44H41ClN2O7/c45-33-16-14-30(15-17-33)40(29-8-2-1-3-9-29)47-20-18-46(19-21-47)22-23-53-24-25-54-44(52)39-27-32-11-5-7-13-35(32)37(42(39)49)28-36-34-12-6-4-10-31(34)26-38(41(36)48)43(50)51/h1-17,26-27,40,48-49H,18-25,28H2,(H,50,51)