methyl 2-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-[(4-phenylphenyl)carbonylamino]butanoate

Systemtic Name: methyl 2-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-[(4-phenylphenyl)carbonylamino]butanoate Openeye Name: methyl 2-[(1-carbamimidoyl-4-piperidyl)methyl]-3-[(4-phenylbenzoyl)amino]butanoate CAS Name: 2-[(1-carbamimidoyl-4-piperidinyl)methyl]-3-[[oxo-(4-phenylphenyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-[(4-phenylbenzoyl)amino]butanoate Traditional Name: 2-[(1-amidino-4-piperidyl)methyl]-3-[(4-phenylbenzoyl)amino]butyric acid methyl ester Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1CCN(CC1)C(=N)N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(CC1CCN(CC1)C(=N)N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H32N4O3/c1-17(22(24(31)32-2)16-18-12-14-29(15-13-18)25(26)27)28-23(30)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,17-18,22H,12-16H2,1-2H3,(H3,26,27)(H,28,30)