[(3S)-1-[(4-methoxyphenyl)methoxy]-5-methyl-hept-6-en-3-yl] (2S)-2-(methylamino)-3-phenyl-propanoate

Systemtic Name: [(3S)-1-[(4-methoxyphenyl)methoxy]-5-methyl-hept-6-en-3-yl] (2S)-2-(methylamino)-3-phenyl-propanoate Openeye Name: [(1S)-1-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methyl-pent-4-enyl] (2S)-2-(methylamino)-3-phenyl-propanoate CAS Name: (2S)-2-(methylamino)-3-phenylpropanoic acid [(3S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-6-en-3-yl] ester IUPAC Name: [(3S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-6-en-3-yl] (2S)-2-(methylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(methylamino)-3-phenyl-propionic acid [(1S)-3-methyl-1-(2-p-anisyloxyethyl)pent-4-enyl] ester Formula: C26H35NO4 MolecularWeight: 425.5604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CCOCC1=CC=C(C=C1)OC)OC(=O)C(CC2=CC=CC=C2)NC)C=C

Isomeric SMILES

CC(C[C@@H](CCOCC1=CC=C(C=C1)OC)OC(=O)[C@H](CC2=CC=CC=C2)NC)C=C

InChI

InChI=1S/C26H35NO4/c1-5-20(2)17-24(15-16-30-19-22-11-13-23(29-4)14-12-22)31-26(28)25(27-3)18-21-9-7-6-8-10-21/h5-14,20,24-25,27H,1,15-19H2,2-4H3/t20?,24-,25+/m1/s1