[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-propoxybenzoate

Systemtic Name: [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-propoxybenzoate Openeye Name: [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)N[C@H](C)C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C22H27NO6/c1-5-12-28-17-8-6-16(7-9-17)22(25)29-14-21(24)23-15(2)19-13-18(26-3)10-11-20(19)27-4/h6-11,13,15H,5,12,14H2,1-4H3,(H,23,24)/t15-/m1/s1