tert-butyl (3R)-5-chloranyl-3-[[(Z,2S)-1-cyclohexyl-6-methyl-hept-3-en-2-yl]carbamoyl]hex-5-enoate

Systemtic Name: tert-butyl (3R)-5-chloranyl-3-[[(Z,2S)-1-cyclohexyl-6-methyl-hept-3-en-2-yl]carbamoyl]hex-5-enoate Openeye Name: tert-butyl (3R)-5-chloro-3-[[(Z,1S)-1-(cyclohexylmethyl)-5-methyl-hex-2-enyl]carbamoyl]hex-5-enoate CAS Name: (3R)-5-chloro-3-[[[(Z,2S)-1-cyclohexyl-6-methylhept-3-en-2-yl]amino]-oxomethyl]-5-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-5-chloro-3-[[(Z,2S)-1-cyclohexyl-6-methylhept-3-en-2-yl]carbamoyl]hex-5-enoate Traditional Name: (3R)-5-chloro-3-[[(Z,1S)-1-(cyclohexylmethyl)-5-methyl-hex-2-enyl]carbamoyl]hex-5-enoic acid tert-butyl ester Formula: C25H42ClNO3 MolecularWeight: 440.05888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC=CC(CC1CCCCC1)NC(=O)C(CC(=C)Cl)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C/C=C\[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=C)Cl)CC(=O)OC(C)(C)C

InChI

InChI=1S/C25H42ClNO3/c1-18(2)11-10-14-22(16-20-12-8-7-9-13-20)27-24(29)21(15-19(3)26)17-23(28)30-25(4,5)6/h10,14,18,20-22H,3,7-9,11-13,15-17H2,1-2,4-6H3,(H,27,29)/b14-10-/t21-,22+/m0/s1