3-carbamimidoyl-1-(phenylmethyl)-2H-indole-2,3-dicarboxylic acid

Systemtic Name: 3-carbamimidoyl-1-(phenylmethyl)-2H-indole-2,3-dicarboxylic acid Openeye Name: 1-benzyl-3-carbamimidoyl-indoline-2,3-dicarboxylic acid CAS Name: 3-carbamimidoyl-1-(phenylmethyl)-2H-indole-2,3-dicarboxylic acid IUPAC Name: 1-benzyl-3-carbamimidoyl-2H-indole-2,3-dicarboxylic acid Traditional Name: 3-amidino-1-benzyl-indoline-2,3-dicarboxylic acid Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C(C3=CC=CC=C32)(C(=N)N)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(C(C3=CC=CC=C32)(C(=N)N)C(=O)O)C(=O)O

InChI

InChI=1S/C18H17N3O4/c19-16(20)18(17(24)25)12-8-4-5-9-13(12)21(14(18)15(22)23)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H3,19,20)(H,22,23)(H,24,25)