3-[[5-(cyclopentylcarbonylamino)-1-(diphenylmethyl)indol-3-yl]methylamino]benzoic acid

Systemtic Name: 3-[[5-(cyclopentylcarbonylamino)-1-(diphenylmethyl)indol-3-yl]methylamino]benzoic acid Openeye Name: 3-[[1-benzhydryl-5-(cyclopentanecarbonylamino)indol-3-yl]methylamino]benzoic acid CAS Name: 3-[[5-[[cyclopentyl(oxo)methyl]amino]-1-(diphenylmethyl)-3-indolyl]methylamino]benzoic acid IUPAC Name: 3-[[1-benzhydryl-5-(cyclopentanecarbonylamino)indol-3-yl]methylamino]benzoic acid Traditional Name: 3-[[1-benzhydryl-5-(cyclopentanecarbonylamino)indol-3-yl]methylamino]benzoic acid Formula: C35H33N3O3 MolecularWeight: 543.65482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC3=C(C=C2)N(C=C3CNC4=CC=CC(=C4)C(=O)O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC3=C(C=C2)N(C=C3CNC4=CC=CC(=C4)C(=O)O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H33N3O3/c39-34(26-14-7-8-15-26)37-30-18-19-32-31(21-30)28(22-36-29-17-9-16-27(20-29)35(40)41)23-38(32)33(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-6,9-13,16-21,23,26,33,36H,7-8,14-15,22H2,(H,37,39)(H,40,41)