4-[butyl-[4-[butyl-(4-carboxyphenyl)carbamoyl]phenyl]carbonyl-amino]benzoic acid

Systemtic Name: 4-[butyl-[4-[butyl-(4-carboxyphenyl)carbamoyl]phenyl]carbonyl-amino]benzoic acid Openeye Name: 4-[butyl-[4-[butyl-(4-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid CAS Name: 4-[butyl-[[4-[(N-butyl-4-carboxyanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[butyl-[4-[butyl-(4-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid Traditional Name: 4-[butyl-[4-[butyl-(4-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid Formula: C30H32N2O6 MolecularWeight: 516.58488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)C(=O)O)C(=O)C2=CC=C(C=C2)C(=O)N(CCCC)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)C(=O)O)C(=O)C2=CC=C(C=C2)C(=O)N(CCCC)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C30H32N2O6/c1-3-5-19-31(25-15-11-23(12-16-25)29(35)36)27(33)21-7-9-22(10-8-21)28(34)32(20-6-4-2)26-17-13-24(14-18-26)30(37)38/h7-18H,3-6,19-20H2,1-2H3,(H,35,36)(H,37,38)