[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2R,3S)-3-methyl-2-phenylpentanoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2R,3S)-3-methyl-2-phenyl-valeric acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC[C@H](C)[C@H](C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H27NO5/c1-5-15(2)21(16-9-7-6-8-10-16)22(25)28-14-20(24)23-17-11-12-18(26-3)19(13-17)27-4/h6-13,15,21H,5,14H2,1-4H3,(H,23,24)/t15-,21+/m0/s1