ethyl 6-[(1S,2R)-2-[methyl-(phenylmethyl)amino]-2-pentyl-cyclopropyl]-4-oxidanyl-hex-2-ynoate

Systemtic Name: ethyl 6-[(1S,2R)-2-[methyl-(phenylmethyl)amino]-2-pentyl-cyclopropyl]-4-oxidanyl-hex-2-ynoate Openeye Name: ethyl 6-[(1S,2R)-2-[benzyl(methyl)amino]-2-pentyl-cyclopropyl]-4-hydroxy-hex-2-ynoate CAS Name: 4-hydroxy-6-[(1S,2R)-2-[methyl-(phenylmethyl)amino]-2-pentylcyclopropyl]-2-hexynoic acid ethyl ester IUPAC Name: ethyl 6-[(1S,2R)-2-[benzyl(methyl)amino]-2-pentylcyclopropyl]-4-hydroxyhex-2-ynoate Traditional Name: 6-[(1S,2R)-2-amyl-2-[benzyl(methyl)amino]cyclopropyl]-4-hydroxy-hex-2-ynoic acid ethyl ester Formula: C24H35NO3 MolecularWeight: 385.5396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CC1CCC(C#CC(=O)OCC)O)N(C)CC2=CC=CC=C2

Isomeric SMILES

CCCCC[C@]1(C[C@@H]1CCC(C#CC(=O)OCC)O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C24H35NO3/c1-4-6-10-17-24(25(3)19-20-11-8-7-9-12-20)18-21(24)13-14-22(26)15-16-23(27)28-5-2/h7-9,11-12,21-22,26H,4-6,10,13-14,17-19H2,1-3H3/t21-,22?,24+/m0/s1