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

Systemtic Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]anilino)acetic acid CAS Name: 2-(N-[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]anilino)acetic acid IUPAC Name: 2-(N-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]anilino)acetic acid Traditional Name: 2-(N-[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]anilino)acetic acid Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O3/c28-27(29)20-11-8-19(9-12-20)10-15-25(32)30-16-4-5-21-17-23(13-14-24(21)30)31(18-26(33)34)22-6-2-1-3-7-22/h1-3,6-9,11-14,17H,4-5,10,15-16,18H2,(H3,28,29)(H,33,34)