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

Systemtic Name: methyl (2S,5S)-5-[bis(phenylmethyl)amino]-4-oxidanylidene-2-(phenylmethyl)octanoate Openeye Name: methyl (2S,5S)-2-benzyl-5-(dibenzylamino)-4-oxo-octanoate CAS Name: (2S,5S)-5-[bis(phenylmethyl)amino]-4-oxo-2-(phenylmethyl)octanoic acid methyl ester IUPAC Name: methyl (2S,5S)-2-benzyl-5-(dibenzylamino)-4-oxooctanoate Traditional Name: (2S,5S)-2-benzyl-5-(dibenzylamino)-4-keto-caprylic acid methyl ester Formula: C30H35NO3 MolecularWeight: 457.6038

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)CC(CC1=CC=CC=C1)C(=O)OC)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCC[C@@H](C(=O)C[C@H](CC1=CC=CC=C1)C(=O)OC)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C30H35NO3/c1-3-13-28(29(32)21-27(30(33)34-2)20-24-14-7-4-8-15-24)31(22-25-16-9-5-10-17-25)23-26-18-11-6-12-19-26/h4-12,14-19,27-28H,3,13,20-23H2,1-2H3/t27-,28-/m0/s1