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

Systemtic Name: methyl 2-[[1-(1-azanylethenyl)piperidin-3-yl]methyl]-3-[(4-phenylphenyl)carbonylamino]butanoate Openeye Name: methyl 2-[[1-(1-aminovinyl)-3-piperidyl]methyl]-3-[(4-phenylbenzoyl)amino]butanoate CAS Name: 2-[[1-(1-aminoethenyl)-3-piperidinyl]methyl]-3-[[oxo-(4-phenylphenyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[1-(1-aminoethenyl)piperidin-3-yl]methyl]-3-[(4-phenylbenzoyl)amino]butanoate Traditional Name: 2-[[1-(1-aminovinyl)-3-piperidyl]methyl]-3-[(4-phenylbenzoyl)amino]butyric acid methyl ester Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1CCCN(C1)C(=C)N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(CC1CCCN(C1)C(=C)N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O3/c1-18(24(26(31)32-3)16-20-8-7-15-29(17-20)19(2)27)28-25(30)23-13-11-22(12-14-23)21-9-5-4-6-10-21/h4-6,9-14,18,20,24H,2,7-8,15-17,27H2,1,3H3,(H,28,30)