[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

InChI

InChI=1S/C22H33N3O4/c1-14(2)24-22(28)23-13-17-9-11-18(12-10-17)21(27)29-16(4)20(26)25-19-8-6-5-7-15(19)3/h9-12,14-16,19H,5-8,13H2,1-4H3,(H,25,26)(H2,23,24,28)