5-[3-[(2,4-dipentylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylpentanoic acid

Systemtic Name: 5-[3-[(2,4-dipentylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylpentanoic acid Openeye Name: 5-[[3-[(2,4-dipentylphenyl)carbamoyl]-4-hydroxy-1-naphthyl]sulfanyl]pentanoic acid CAS Name: 5-[[3-[(2,4-dipentylanilino)-oxomethyl]-4-hydroxy-1-naphthalenyl]thio]pentanoic acid IUPAC Name: 5-[3-[(2,4-dipentylphenyl)carbamoyl]-4-hydroxynaphthalen-1-yl]sulfanylpentanoic acid Traditional Name: 5-[[3-[(2,4-diamylphenyl)carbamoyl]-4-hydroxy-1-naphthyl]thio]valeric acid Formula: C32H41NO4S MolecularWeight: 535.73724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H41NO4S/c1-3-5-7-13-23-18-19-28(24(21-23)14-8-6-4-2)33-32(37)27-22-29(38-20-12-11-17-30(34)35)25-15-9-10-16-26(25)31(27)36/h9-10,15-16,18-19,21-22,36H,3-8,11-14,17,20H2,1-2H3,(H,33,37)(H,34,35)