[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N[C@H](C)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C23H29NO4/c1-5-6-13-27-21-11-9-19(10-12-21)23(26)28-15-22(25)24-18(4)20-8-7-16(2)17(3)14-20/h7-12,14,18H,5-6,13,15H2,1-4H3,(H,24,25)/t18-/m1/s1