[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-keto-ethyl] ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC(C)C2CC2)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)N[C@H](C)C2CC2)C

InChI

InChI=1S/C16H21NO3/c1-10-6-11(2)8-14(7-10)16(19)20-9-15(18)17-12(3)13-4-5-13/h6-8,12-13H,4-5,9H2,1-3H3,(H,17,18)/t12-/m1/s1