[(2R)-1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [(2R)-1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 3,4,5-trimethoxybenzoate Openeye Name: [(1R)-2-(dibenzylamino)-1-methyl-2-oxo-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [(2R)-1-[bis(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(1R)-2-(dibenzylamino)-2-keto-1-methyl-ethyl] ester Formula: C27H29NO6 MolecularWeight: 463.52226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO6/c1-19(34-27(30)22-15-23(31-2)25(33-4)24(16-22)32-3)26(29)28(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-16,19H,17-18H2,1-4H3/t19-/m1/s1