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

Systemtic Name: methyl (4R,5S)-5-[bis(phenylmethyl)amino]-4-ethenyl-2-prop-2-enyl-octanoate Openeye Name: methyl (4R,5S)-2-allyl-5-(dibenzylamino)-4-vinyl-octanoate CAS Name: (4R,5S)-5-[bis(phenylmethyl)amino]-4-ethenyl-2-prop-2-enyloctanoic acid methyl ester IUPAC Name: methyl (4R,5S)-5-(dibenzylamino)-4-ethenyl-2-prop-2-enyloctanoate Traditional Name: (4R)-2-allyl-4-[(1S)-1-(dibenzylamino)butyl]hex-5-enoic acid methyl ester Formula: C28H37NO2 MolecularWeight: 419.59888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37NO2/c1-5-14-26(28(30)31-4)20-25(7-3)27(15-6-2)29(21-23-16-10-8-11-17-23)22-24-18-12-9-13-19-24/h5,7-13,16-19,25-27H,1,3,6,14-15,20-22H2,2,4H3/t25-,26?,27-/m0/s1