1-(1H-indol-3-ylcarbonyl)-6-[[1-(phenylmethyl)pyrrolidin-2-yl]methyl]indole-3-carboxylic acid

Systemtic Name: 1-(1H-indol-3-ylcarbonyl)-6-[[1-(phenylmethyl)pyrrolidin-2-yl]methyl]indole-3-carboxylic acid Openeye Name: 6-[(1-benzylpyrrolidin-2-yl)methyl]-1-(1H-indole-3-carbonyl)indole-3-carboxylic acid CAS Name: 1-[1H-indol-3-yl(oxo)methyl]-6-[[1-(phenylmethyl)-2-pyrrolidinyl]methyl]-3-indolecarboxylic acid IUPAC Name: 6-[(1-benzylpyrrolidin-2-yl)methyl]-1-(1H-indole-3-carbonyl)indole-3-carboxylic acid Traditional Name: 6-[(1-benzylpyrrolidin-2-yl)methyl]-1-(1H-indole-3-carbonyl)indole-3-carboxylic acid Formula: C30H27N3O3 MolecularWeight: 477.55368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC=CC=C2)CC3=CC4=C(C=C3)C(=CN4C(=O)C5=CNC6=CC=CC=C65)C(=O)O

Isomeric SMILES

C1CC(N(C1)CC2=CC=CC=C2)CC3=CC4=C(C=C3)C(=CN4C(=O)C5=CNC6=CC=CC=C65)C(=O)O

InChI

InChI=1S/C30H27N3O3/c34-29(25-17-31-27-11-5-4-10-23(25)27)33-19-26(30(35)36)24-13-12-21(16-28(24)33)15-22-9-6-14-32(22)18-20-7-2-1-3-8-20/h1-5,7-8,10-13,16-17,19,22,31H,6,9,14-15,18H2,(H,35,36)