methyl 3-[[8-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-3,8-diazaspiro[4.5]decan-3-yl]carbonyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[8-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-3,8-diazaspiro[4.5]decan-3-yl]carbonyl]-5-nitro-benzoate Openeye Name: methyl 3-[8-(7-methoxybenzofuran-2-carbonyl)-3,8-diazaspiro[4.5]decane-3-carbonyl]-5-nitro-benzoate CAS Name: 3-[[8-[(7-methoxy-2-benzofuranyl)-oxomethyl]-3,8-diazaspiro[4.5]decan-3-yl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[8-(7-methoxy-1-benzofuran-2-carbonyl)-3,8-diazaspiro[4.5]decane-3-carbonyl]-5-nitrobenzoate Traditional Name: 3-[8-(7-methoxybenzofuran-2-carbonyl)-3,8-diazaspiro[4.5]decane-3-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C27H27N3O8 MolecularWeight: 521.51858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)N3CCC4(CC3)CCN(C4)C(=O)C5=CC(=CC(=C5)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N3CCC4(CC3)CCN(C4)C(=O)C5=CC(=CC(=C5)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C27H27N3O8/c1-36-21-5-3-4-17-15-22(38-23(17)21)25(32)28-9-6-27(7-10-28)8-11-29(16-27)24(31)18-12-19(26(33)37-2)14-20(13-18)30(34)35/h3-5,12-15H,6-11,16H2,1-2H3