6-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]-1H-indole-2-carboxylic acid

Systemtic Name: 6-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]-1H-indole-2-carboxylic acid Openeye Name: 6-[(Z)-N'-benzyloxycarbonylcarbamimidoyl]-1H-indole-2-carboxylic acid CAS Name: 6-[(Z)-amino(phenylmethoxycarbonylimino)methyl]-1H-indole-2-carboxylic acid IUPAC Name: 6-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]-1H-indole-2-carboxylic acid Traditional Name: 6-[(Z)-N'-carbobenzoxyamidino]-1H-indole-2-carboxylic acid Formula: C18H15N3O4 MolecularWeight: 337.3294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N=C(C2=CC3=C(C=C2)C=C(N3)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/N=C(/C2=CC3=C(C=C2)C=C(N3)C(=O)O)\N

InChI

InChI=1S/C18H15N3O4/c19-16(21-18(24)25-10-11-4-2-1-3-5-11)13-7-6-12-8-15(17(22)23)20-14(12)9-13/h1-9,20H,10H2,(H,22,23)(H2,19,21,24)