6-[2-carboxy-4-[3-(4-octadecoxyphenyl)propanoylamino]phenoxy]naphthalene-2-carboxylic acid

Systemtic Name: 6-[2-carboxy-4-[3-(4-octadecoxyphenyl)propanoylamino]phenoxy]naphthalene-2-carboxylic acid Openeye Name: 6-[2-carboxy-4-[3-(4-octadecoxyphenyl)propanoylamino]phenoxy]naphthalene-2-carboxylic acid CAS Name: 6-[2-carboxy-4-[[3-(4-octadecoxyphenyl)-1-oxopropyl]amino]phenoxy]-2-naphthalenecarboxylic acid IUPAC Name: 6-[2-carboxy-4-[3-(4-octadecoxyphenyl)propanoylamino]phenoxy]naphthalene-2-carboxylic acid Traditional Name: 6-[2-carboxy-4-[3-(4-stearyloxyphenyl)propanoylamino]phenoxy]-2-naphthoic acid Formula: C45H57NO7 MolecularWeight: 723.93658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)OC3=CC4=C(C=C3)C=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)OC3=CC4=C(C=C3)C=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C45H57NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30-52-39-25-18-34(19-26-39)20-29-43(47)46-38-24-28-42(41(33-38)45(50)51)53-40-27-23-35-31-37(44(48)49)22-21-36(35)32-40/h18-19,21-28,31-33H,2-17,20,29-30H2,1H3,(H,46,47)(H,48,49)(H,50,51)