[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate

Systemtic Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate Openeye Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-keto-ethyl] ester Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2COC3=CC=CC=C3O2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC[C@H]2COC3=CC=CC=C3O2)OCC

InChI

InChI=1S/C22H25NO7/c1-3-26-18-10-9-15(11-20(18)27-4-2)22(25)29-14-21(24)23-12-16-13-28-17-7-5-6-8-19(17)30-16/h5-11,16H,3-4,12-14H2,1-2H3,(H,23,24)/t16-/m0/s1