tert-butyl 2-[9-(2-methylpropyl)-7,10-bis(oxidanylidene)-3-(5-phenylpentyl)-3,8,11-triazaspiro[5.5]undecan-11-yl]ethanoate

Systemtic Name: tert-butyl 2-[9-(2-methylpropyl)-7,10-bis(oxidanylidene)-3-(5-phenylpentyl)-3,8,11-triazaspiro[5.5]undecan-11-yl]ethanoate Openeye Name: tert-butyl 2-[9-isobutyl-7,10-dioxo-3-(5-phenylpentyl)-3,8,11-triazaspiro[5.5]undecan-11-yl]acetate CAS Name: 2-[9-(2-methylpropyl)-7,10-dioxo-3-(5-phenylpentyl)-3,8,11-triazaspiro[5.5]undecan-11-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[9-(2-methylpropyl)-7,10-dioxo-3-(5-phenylpentyl)-3,8,11-triazaspiro[5.5]undecan-11-yl]acetate Traditional Name: 2-[9-isobutyl-7,10-diketo-3-(5-phenylpentyl)-3,8,11-triazaspiro[5.5]undecan-11-yl]acetic acid tert-butyl ester Formula: C29H45N3O4 MolecularWeight: 499.6853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)N(C2(CCN(CC2)CCCCCC3=CC=CC=C3)C(=O)N1)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC1C(=O)N(C2(CCN(CC2)CCCCCC3=CC=CC=C3)C(=O)N1)CC(=O)OC(C)(C)C

InChI

InChI=1S/C29H45N3O4/c1-22(2)20-24-26(34)32(21-25(33)36-28(3,4)5)29(27(35)30-24)15-18-31(19-16-29)17-11-7-10-14-23-12-8-6-9-13-23/h6,8-9,12-13,22,24H,7,10-11,14-21H2,1-5H3,(H,30,35)