1-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-3-carboxylic acid Openeye Name: 1-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-3-carboxylic acid CAS Name: 1-[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-3-carboxylic acid Traditional Name: 1-[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]nipecotic acid Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C25H30N4O3/c26-24(27)18-8-5-17(6-9-18)7-12-23(30)29-14-2-3-19-15-21(10-11-22(19)29)28-13-1-4-20(16-28)25(31)32/h5-6,8-11,15,20H,1-4,7,12-14,16H2,(H3,26,27)(H,31,32)