[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [2-[[[[(1S,2S)-2-methylcyclohexyl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]ethyl] ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)COC(=O)C2=C(C(=CC=C2)C)N

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=C(C(=CC=C2)C)N

InChI

InChI=1S/C18H25N3O4/c1-11-6-3-4-9-14(11)20-18(24)21-15(22)10-25-17(23)13-8-5-7-12(2)16(13)19/h5,7-8,11,14H,3-4,6,9-10,19H2,1-2H3,(H2,20,21,22,24)/t11-,14-/m0/s1