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

Systemtic Name: 1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid Openeye Name: 1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid CAS Name: 1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid IUPAC Name: 1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid Traditional Name: 1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)O)N(C1)C(=O)CCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)O)N(C1)C(=O)CCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H21N3O3/c21-19(22)14-6-3-13(4-7-14)5-10-18(24)23-11-1-2-15-12-16(20(25)26)8-9-17(15)23/h3-4,6-9,12H,1-2,5,10-11H2,(H3,21,22)(H,25,26)