2-[1-[2-carbamimidoyl-3-(4-methylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[2-carbamimidoyl-3-(4-methylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[2-carbamimidoyl-3-(p-tolyl)benzoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[[2-carbamimidoyl-3-(4-methylphenyl)phenyl]-oxomethyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[2-carbamimidoyl-3-(4-methylphenyl)benzoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[2-amidino-3-(p-tolyl)benzoyl]-4-piperidyl]acetic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)N3CCC(CC3)CC(=O)O)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)N3CCC(CC3)CC(=O)O)C(=N)N

InChI

InChI=1S/C22H25N3O3/c1-14-5-7-16(8-6-14)17-3-2-4-18(20(17)21(23)24)22(28)25-11-9-15(10-12-25)13-19(26)27/h2-8,15H,9-13H2,1H3,(H3,23,24)(H,26,27)