[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-methoxy-4-propoxy-benzoate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-methoxy-4-propoxy-benzoate Openeye Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl] 3-methoxy-4-propoxy-benzoate CAS Name: 3-methoxy-4-propoxybenzoic acid [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate Traditional Name: 3-methoxy-4-propoxy-benzoic acid [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl] ester Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC)OC

InChI

InChI=1S/C22H25NO7/c1-4-11-29-18-10-9-17(12-19(18)27-2)22(26)30-14-20(24)23-13-15-5-7-16(8-6-15)21(25)28-3/h5-10,12H,4,11,13-14H2,1-3H3,(H,23,24)