[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-azanylbenzoate

Systemtic Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-azanylbenzoate Openeye Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl] 3-aminobenzoate CAS Name: 3-aminobenzoic acid [2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid [2-keto-2-(4-piperonylpiperazino)ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC(=O)C4=CC(=CC=C4)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC(=O)C4=CC(=CC=C4)N

InChI

InChI=1S/C21H23N3O5/c22-17-3-1-2-16(11-17)21(26)27-13-20(25)24-8-6-23(7-9-24)12-15-4-5-18-19(10-15)29-14-28-18/h1-5,10-11H,6-9,12-14,22H2