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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H30N4O3/c26-24(27)18-9-6-17(7-10-18)8-13-23(30)29-15-3-4-19-16-20(11-12-21(19)29)28-14-2-1-5-22(28)25(31)32/h6-7,9-12,16,22H,1-5,8,13-15H2,(H3,26,27)(H,31,32)