[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C22H22N2O5/c1-13-8-14(2)16-11-18(24-17(16)9-13)22(26)29-12-21(25)23-15-4-5-19-20(10-15)28-7-3-6-27-19/h4-5,8-11,24H,3,6-7,12H2,1-2H3,(H,23,25)