[(E,3R)-4,4-dimethyl-7-oxidanylidene-1-phenyl-8-propyl-undec-5-en-3-yl] (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate

Systemtic Name: [(E,3R)-4,4-dimethyl-7-oxidanylidene-1-phenyl-8-propyl-undec-5-en-3-yl] (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate Openeye Name: [(E,1R)-2,2-dimethyl-5-oxo-1-phenethyl-6-propyl-non-3-enyl] (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate CAS Name: (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid [(E,3R)-4,4-dimethyl-7-oxo-1-phenyl-8-propylundec-5-en-3-yl] ester IUPAC Name: [(E,3R)-4,4-dimethyl-7-oxo-1-phenyl-8-propylundec-5-en-3-yl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(2-keto-3,3-dimethyl-pentanoyl)pipecolinic acid [(E,1R)-5-keto-2,2-dimethyl-1-phenethyl-6-propyl-non-3-enyl] ester Formula: C35H53NO5 MolecularWeight: 567.79902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)C=CC(C)(C)C(CCC1=CC=CC=C1)OC(=O)C2CCCCN2C(=O)C(=O)C(C)(C)CC

Isomeric SMILES

CCCC(CCC)C(=O)/C=C/C(C)(C)[C@@H](CCC1=CC=CC=C1)OC(=O)[C@@H]2CCCCN2C(=O)C(=O)C(C)(C)CC

InChI

InChI=1S/C35H53NO5/c1-8-16-27(17-9-2)29(37)23-24-35(6,7)30(22-21-26-18-12-11-13-19-26)41-33(40)28-20-14-15-25-36(28)32(39)31(38)34(4,5)10-3/h11-13,18-19,23-24,27-28,30H,8-10,14-17,20-22,25H2,1-7H3/b24-23+/t28-,30+/m0/s1