2-(benzimidazol-1-ylmethyl)-3-[(2-butylcyclohexyl)carbamoylamino]-6-phenyl-benzoic acid

Systemtic Name: 2-(benzimidazol-1-ylmethyl)-3-[(2-butylcyclohexyl)carbamoylamino]-6-phenyl-benzoic acid Openeye Name: 2-(benzimidazol-1-ylmethyl)-3-[(2-butylcyclohexyl)carbamoylamino]-6-phenyl-benzoic acid CAS Name: 2-(1-benzimidazolylmethyl)-3-[[[(2-butylcyclohexyl)amino]-oxomethyl]amino]-6-phenylbenzoic acid IUPAC Name: 2-(benzimidazol-1-ylmethyl)-3-[(2-butylcyclohexyl)carbamoylamino]-6-phenylbenzoic acid Traditional Name: 2-(benzimidazol-1-ylmethyl)-3-[(2-butylcyclohexyl)carbamoylamino]-6-phenyl-benzoic acid Formula: C32H36N4O3 MolecularWeight: 524.65324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCCC1NC(=O)NC2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)CN4C=NC5=CC=CC=C54

Isomeric SMILES

CCCCC1CCCCC1NC(=O)NC2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)CN4C=NC5=CC=CC=C54

InChI

InChI=1S/C32H36N4O3/c1-2-3-11-23-14-7-8-15-26(23)34-32(39)35-27-19-18-24(22-12-5-4-6-13-22)30(31(37)38)25(27)20-36-21-33-28-16-9-10-17-29(28)36/h4-6,9-10,12-13,16-19,21,23,26H,2-3,7-8,11,14-15,20H2,1H3,(H,37,38)(H2,34,35,39)