[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: 2-acetamido-3-(1H-indol-3-yl)propanoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: 2-acetamido-3-(1H-indol-3-yl)propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H23N3O6 MolecularWeight: 437.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C

InChI

InChI=1S/C23H23N3O6/c1-13(22(28)26-16-7-8-20-21(10-16)31-12-30-20)32-23(29)19(25-14(2)27)9-15-11-24-18-6-4-3-5-17(15)18/h3-8,10-11,13,19,24H,9,12H2,1-2H3,(H,25,27)(H,26,28)