2-[1-[2-[(4-carbamimidoylphenyl)amino]-2-oxidanylidene-ethyl]indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-[2-[(4-carbamimidoylphenyl)amino]-2-oxidanylidene-ethyl]indol-3-yl]ethanoic acid Openeye Name: 2-[1-[2-(4-carbamimidoylanilino)-2-oxo-ethyl]indol-3-yl]acetic acid CAS Name: 2-[1-[2-(4-carbamimidoylanilino)-2-oxoethyl]-3-indolyl]acetic acid IUPAC Name: 2-[1-[2-(4-carbamimidoylanilino)-2-oxoethyl]indol-3-yl]acetic acid Traditional Name: 2-[1-[2-(4-amidinoanilino)-2-keto-ethyl]indol-3-yl]acetic acid Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC(=O)NC3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC(=O)NC3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C19H18N4O3/c20-19(21)12-5-7-14(8-6-12)22-17(24)11-23-10-13(9-18(25)26)15-3-1-2-4-16(15)23/h1-8,10H,9,11H2,(H3,20,21)(H,22,24)(H,25,26)