methyl 2-[[(4-aminophenyl)carbonyl-(dimethylamino)amino]-cyclohexylcarbonyl-amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[(4-aminophenyl)carbonyl-(dimethylamino)amino]-cyclohexylcarbonyl-amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[(4-aminobenzoyl)-(dimethylamino)amino]-(cyclohexanecarbonyl)amino]-3-phenyl-propanoate CAS Name: 2-[[[(4-aminophenyl)-oxomethyl]-(dimethylamino)amino]-[cyclohexyl(oxo)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[(4-aminobenzoyl)-(dimethylamino)amino]-(cyclohexanecarbonyl)amino]-3-phenylpropanoate Traditional Name: 2-[[(4-aminobenzoyl)-(dimethylamino)amino]-(cyclohexanecarbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)N(C(=O)C1=CC=C(C=C1)N)N(C(CC2=CC=CC=C2)C(=O)OC)C(=O)C3CCCCC3

Isomeric SMILES

CN(C)N(C(=O)C1=CC=C(C=C1)N)N(C(CC2=CC=CC=C2)C(=O)OC)C(=O)C3CCCCC3

InChI

InChI=1S/C26H34N4O4/c1-28(2)30(25(32)21-14-16-22(27)17-15-21)29(24(31)20-12-8-5-9-13-20)23(26(33)34-3)18-19-10-6-4-7-11-19/h4,6-7,10-11,14-17,20,23H,5,8-9,12-13,18,27H2,1-3H3