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

Systemtic Name: methyl 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20N2O5/c1-26-21(25)16-12-23(17-6-3-2-5-15(16)17)13-20(24)22-14-7-8-18-19(11-14)28-10-4-9-27-18/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,22,24)