[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-keto-2-[[(1R)-3-methyl-1-phenyl-butyl]amino]ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OCC(=O)NC(CC(C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)OCC(=O)N[C@H](CC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3/c1-14(2)12-18(16-9-5-4-6-10-16)23-19(24)13-26-21(25)17-11-7-8-15(3)20(17)22/h4-11,14,18H,12-13,22H2,1-3H3,(H,23,24)/t18-/m1/s1