methyl 3-(3-methoxy-3-oxidanylidene-propyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate

Systemtic Name: methyl 3-(3-methoxy-3-oxidanylidene-propyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: methyl 3-(3-methoxy-3-oxo-propyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 3-(3-methoxy-3-oxopropyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-methoxy-3-oxopropyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(3-keto-3-methoxy-propyl)-2,4,5,6-tetrahydro-1H-azepin[4,5-b]indole-5-carboxylic acid methyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCC2=C(C(C1)C(=O)OC)NC3=CC=CC=C23

Isomeric SMILES

COC(=O)CCN1CCC2=C(C(C1)C(=O)OC)NC3=CC=CC=C23

InChI

InChI=1S/C18H22N2O4/c1-23-16(21)8-10-20-9-7-13-12-5-3-4-6-15(12)19-17(13)14(11-20)18(22)24-2/h3-6,14,19H,7-11H2,1-2H3