tert-butyl 3-methyl-2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]but-3-enoate

Systemtic Name: tert-butyl 3-methyl-2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]but-3-enoate Openeye Name: tert-butyl 2-(3-isobutyl-2-oxo-1-phenethyl-pyrrolidin-3-yl)-3-methyl-but-3-enoate CAS Name: 3-methyl-2-[3-(2-methylpropyl)-2-oxo-1-phenethyl-3-pyrrolidinyl]-3-butenoic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-2-[3-(2-methylpropyl)-2-oxo-1-phenethylpyrrolidin-3-yl]but-3-enoate Traditional Name: 2-(3-isobutyl-2-keto-1-phenethyl-pyrrolidin-3-yl)-3-methyl-but-3-enoic acid tert-butyl ester Formula: C25H37NO3 MolecularWeight: 399.56618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CCN(C1=O)CCC2=CC=CC=C2)C(C(=C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC1(CCN(C1=O)CCC2=CC=CC=C2)C(C(=C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H37NO3/c1-18(2)17-25(21(19(3)4)22(27)29-24(5,6)7)14-16-26(23(25)28)15-13-20-11-9-8-10-12-20/h8-12,18,21H,3,13-17H2,1-2,4-7H3