6-[(Z)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]-1H-indole-3-carboxylic acid

Systemtic Name: 6-[(Z)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]-1H-indole-3-carboxylic acid Openeye Name: 6-[(Z)-N,N'-bis(benzyloxycarbonyl)carbamimidoyl]-1H-indole-3-carboxylic acid CAS Name: 6-[(Z)-phenylmethoxycarbonylamino(phenylmethoxycarbonylimino)methyl]-1H-indole-3-carboxylic acid IUPAC Name: 6-[(Z)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]-1H-indole-3-carboxylic acid Traditional Name: 6-[(Z)-N,N'-dicarbobenzoxyamidino]-1H-indole-3-carboxylic acid Formula: C26H21N3O6 MolecularWeight: 471.46144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(=NC(=O)OCC2=CC=CC=C2)C3=CC4=C(C=C3)C(=CN4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N/C(=N\C(=O)OCC2=CC=CC=C2)/C3=CC4=C(C=C3)C(=CN4)C(=O)O

InChI

InChI=1S/C26H21N3O6/c30-24(31)21-14-27-22-13-19(11-12-20(21)22)23(28-25(32)34-15-17-7-3-1-4-8-17)29-26(33)35-16-18-9-5-2-6-10-18/h1-14,27H,15-16H2,(H,30,31)(H,28,29,32,33)