2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]amino]acetic acid CAS Name: 2-[[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]amino]acetic acid Traditional Name: 2-[[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-benzyl-amino]acetic acid Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)N(CC3=CC=CC=C3)CC(=O)O)N(C1)C(=O)CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC2=C(C=CC(=C2)N(CC3=CC=CC=C3)CC(=O)O)N(C1)C(=O)CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H30N4O3/c29-28(30)22-11-8-20(9-12-22)10-15-26(33)32-16-4-7-23-17-24(13-14-25(23)32)31(19-27(34)35)18-21-5-2-1-3-6-21/h1-3,5-6,8-9,11-14,17H,4,7,10,15-16,18-19H2,(H3,29,30)(H,34,35)