methyl (2S,5S)-5-[bis(phenylmethyl)amino]-2-(cyclohexylmethyl)-7-methyl-4-oxidanylidene-octanoate

Systemtic Name: methyl (2S,5S)-5-[bis(phenylmethyl)amino]-2-(cyclohexylmethyl)-7-methyl-4-oxidanylidene-octanoate Openeye Name: methyl (2S,5S)-2-(cyclohexylmethyl)-5-(dibenzylamino)-7-methyl-4-oxo-octanoate CAS Name: (2S,5S)-5-[bis(phenylmethyl)amino]-2-(cyclohexylmethyl)-7-methyl-4-oxooctanoic acid methyl ester IUPAC Name: methyl (2S,5S)-2-(cyclohexylmethyl)-5-(dibenzylamino)-7-methyl-4-oxooctanoate Traditional Name: (2S,5S)-2-(cyclohexylmethyl)-5-(dibenzylamino)-4-keto-7-methyl-caprylic acid methyl ester Formula: C31H43NO3 MolecularWeight: 477.67802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)CC(CC1CCCCC1)C(=O)OC)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)C[C@H](CC1CCCCC1)C(=O)OC)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C31H43NO3/c1-24(2)19-29(30(33)21-28(31(34)35-3)20-25-13-7-4-8-14-25)32(22-26-15-9-5-10-16-26)23-27-17-11-6-12-18-27/h5-6,9-12,15-18,24-25,28-29H,4,7-8,13-14,19-23H2,1-3H3/t28-,29-/m0/s1