tert-butyl 4-acetamido-5-oxidanylidene-5-[8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decan-3-yl]pentanoate

Systemtic Name: tert-butyl 4-acetamido-5-oxidanylidene-5-[8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decan-3-yl]pentanoate Openeye Name: tert-butyl 4-acetamido-5-oxo-5-[8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decan-3-yl]pentanoate CAS Name: 4-acetamido-5-oxo-5-[8-[oxo-[2-(1-pyrrolyl)phenyl]methyl]-3,8-diazaspiro[4.5]decan-3-yl]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-acetamido-5-oxo-5-[8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decan-3-yl]pentanoate Traditional Name: 4-acetamido-5-keto-5-[8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decan-3-yl]valeric acid tert-butyl ester Formula: C30H40N4O5 MolecularWeight: 536.6624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)N1CCC2(C1)CCN(CC2)C(=O)C3=CC=CC=C3N4C=CC=C4

Isomeric SMILES

CC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)N1CCC2(C1)CCN(CC2)C(=O)C3=CC=CC=C3N4C=CC=C4

InChI

InChI=1S/C30H40N4O5/c1-22(35)31-24(11-12-26(36)39-29(2,3)4)28(38)34-20-15-30(21-34)13-18-33(19-14-30)27(37)23-9-5-6-10-25(23)32-16-7-8-17-32/h5-10,16-17,24H,11-15,18-21H2,1-4H3,(H,31,35)