ethyl (3R,4S)-4-[bis(phenylmethyl)amino]-3-ethenyl-hexanoate

Systemtic Name: ethyl (3R,4S)-4-[bis(phenylmethyl)amino]-3-ethenyl-hexanoate Openeye Name: ethyl (3R,4S)-4-(dibenzylamino)-3-vinyl-hexanoate CAS Name: (3R,4S)-4-[bis(phenylmethyl)amino]-3-ethenylhexanoic acid ethyl ester IUPAC Name: ethyl (3R,4S)-4-(dibenzylamino)-3-ethenylhexanoate Traditional Name: (3R)-3-[(1S)-1-(dibenzylamino)propyl]pent-4-enoic acid ethyl ester Formula: C24H31NO2 MolecularWeight: 365.50844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(=O)OCC)C=C)N(CC1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO2/c1-4-22(17-24(26)27-6-3)23(5-2)25(18-20-13-9-7-10-14-20)19-21-15-11-8-12-16-21/h4,7-16,22-23H,1,5-6,17-19H2,2-3H3/t22-,23-/m0/s1