methyl (3S)-3-[[(2S)-1-tert-butyl-3,4-dimethyl-5-oxidanylidene-2H-pyrrol-2-yl]amino]-3-(2-ethylphenyl)propanoate

Systemtic Name: methyl (3S)-3-[[(2S)-1-tert-butyl-3,4-dimethyl-5-oxidanylidene-2H-pyrrol-2-yl]amino]-3-(2-ethylphenyl)propanoate Openeye Name: methyl (3S)-3-[[(2S)-1-tert-butyl-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-3-(2-ethylphenyl)propanoate CAS Name: (3S)-3-[[(2S)-1-tert-butyl-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-3-(2-ethylphenyl)propanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[(2S)-1-tert-butyl-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]amino]-3-(2-ethylphenyl)propanoate Traditional Name: (3S)-3-[[(2S)-1-tert-butyl-5-keto-3,4-dimethyl-3-pyrrolin-2-yl]amino]-3-(2-ethylphenyl)propionic acid methyl ester Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(CC(=O)OC)NC2C(=C(C(=O)N2C(C)(C)C)C)C

Isomeric SMILES

CCC1=CC=CC=C1[C@H](CC(=O)OC)N[C@@H]2C(=C(C(=O)N2C(C)(C)C)C)C

InChI

InChI=1S/C22H32N2O3/c1-8-16-11-9-10-12-17(16)18(13-19(25)27-7)23-20-14(2)15(3)21(26)24(20)22(4,5)6/h9-12,18,20,23H,8,13H2,1-7H3/t18-,20-/m0/s1