methyl (4R,5S)-5-[bis(phenylmethyl)amino]-4-ethenyl-7-methyl-2-prop-2-enyl-octanoate

Systemtic Name: methyl (4R,5S)-5-[bis(phenylmethyl)amino]-4-ethenyl-7-methyl-2-prop-2-enyl-octanoate Openeye Name: methyl (4R,5S)-2-allyl-5-(dibenzylamino)-7-methyl-4-vinyl-octanoate CAS Name: (4R,5S)-5-[bis(phenylmethyl)amino]-4-ethenyl-7-methyl-2-prop-2-enyloctanoic acid methyl ester IUPAC Name: methyl (4R,5S)-5-(dibenzylamino)-4-ethenyl-7-methyl-2-prop-2-enyloctanoate Traditional Name: (4R)-2-allyl-4-[(1S)-1-(dibenzylamino)-3-methyl-butyl]hex-5-enoic acid methyl ester Formula: C29H39NO2 MolecularWeight: 433.62546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(CC=C)C(=O)OC)C=C)N(CC1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H]([C@H](CC(CC=C)C(=O)OC)C=C)N(CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C29H39NO2/c1-6-14-27(29(31)32-5)20-26(7-2)28(19-23(3)4)30(21-24-15-10-8-11-16-24)22-25-17-12-9-13-18-25/h6-13,15-18,23,26-28H,1-2,14,19-22H2,3-5H3/t26-,27?,28-/m0/s1