methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoate Traditional Name: 2-(3-amidinobenzyl)-3-[[1-(4-pyridyl)isonipecotoyl]amino]butyric acid methyl ester Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C24H31N5O3/c1-16(21(24(31)32-2)15-17-4-3-5-19(14-17)22(25)26)28-23(30)18-8-12-29(13-9-18)20-6-10-27-11-7-20/h3-7,10-11,14,16,18,21H,8-9,12-13,15H2,1-2H3,(H3,25,26)(H,28,30)