3-[3-[(2,4-dipentylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylbutanoic acid

Systemtic Name: 3-[3-[(2,4-dipentylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylbutanoic acid Openeye Name: 3-[[3-[(2,4-dipentylphenyl)carbamoyl]-4-hydroxy-1-naphthyl]sulfanyl]butanoic acid CAS Name: 3-[[3-[(2,4-dipentylanilino)-oxomethyl]-4-hydroxy-1-naphthalenyl]thio]butanoic acid IUPAC Name: 3-[3-[(2,4-dipentylphenyl)carbamoyl]-4-hydroxynaphthalen-1-yl]sulfanylbutanoic acid Traditional Name: 3-[[3-[(2,4-diamylphenyl)carbamoyl]-4-hydroxy-1-naphthyl]thio]butyric acid Formula: C31H39NO4S MolecularWeight: 521.71066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC(C)CC(=O)O)O)CCCCC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC(C)CC(=O)O)O)CCCCC

InChI

InChI=1S/C31H39NO4S/c1-4-6-8-12-22-16-17-27(23(19-22)13-9-7-5-2)32-31(36)26-20-28(37-21(3)18-29(33)34)24-14-10-11-15-25(24)30(26)35/h10-11,14-17,19-21,35H,4-9,12-13,18H2,1-3H3,(H,32,36)(H,33,34)