methyl 1-[2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]-2-oxidanylidene-ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]-2-oxidanylidene-ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[1-[2-(azepan-1-yl)-2-oxo-ethyl]indol-3-yl]-2-oxo-acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[1-[2-(1-azepanyl)-2-oxoethyl]-3-indolyl]-1,2-dioxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-2-oxoacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[1-[2-(azepan-1-yl)-2-keto-ethyl]indol-3-yl]-2-keto-acetyl]isonipecotic acid methyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O5/c1-33-25(32)18-10-14-27(15-11-18)24(31)23(30)20-16-28(21-9-5-4-8-19(20)21)17-22(29)26-12-6-2-3-7-13-26/h4-5,8-9,16,18H,2-3,6-7,10-15,17H2,1H3