4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-piperazine

Systemtic Name: 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid; 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-piperazine Openeye Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid; 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-piperazine CAS Name: 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid; 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine Traditional Name: 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid; 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-piperazine Formula: C41H37ClN2O6 MolecularWeight: 689.19528

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C23H16O6.C18H21ClN2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2-10,18H,11-14H2,1H3