ethyl (3S,5R)-5-methyl-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]octanoate

Systemtic Name: ethyl (3S,5R)-5-methyl-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]octanoate Openeye Name: ethyl (3S,5R)-3-[benzyl-[(1S)-1-phenylethyl]amino]-5-methyl-octanoate CAS Name: (3S,5R)-5-methyl-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]octanoic acid ethyl ester IUPAC Name: ethyl (3S,5R)-3-[benzyl-[(1S)-1-phenylethyl]amino]-5-methyloctanoate Traditional Name: (3S,5R)-3-[benzyl-[(1S)-1-phenylethyl]amino]-5-methyl-caprylic acid ethyl ester Formula: C26H37NO2 MolecularWeight: 395.57748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC(CC(=O)OCC)N(CC1=CC=CC=C1)C(C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO2/c1-5-13-21(3)18-25(19-26(28)29-6-2)27(20-23-14-9-7-10-15-23)22(4)24-16-11-8-12-17-24/h7-12,14-17,21-22,25H,5-6,13,18-20H2,1-4H3/t21-,22+,25+/m1/s1