[1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-3,4-dihydro-2H-quinolin-3-yl] N-methylcarbamate

Systemtic Name: [1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-3,4-dihydro-2H-quinolin-3-yl] N-methylcarbamate Openeye Name: [1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-3,4-dihydro-2H-quinolin-3-yl] N-methylcarbamate CAS Name: N-methylcarbamic acid [1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-3,4-dihydro-2H-quinolin-3-yl] ester IUPAC Name: [1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-3,4-dihydro-2H-quinolin-3-yl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [1-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-3,4-dihydro-2H-quinolin-3-yl] ester Formula: C27H44N4O5 MolecularWeight: 504.66206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(CC2=CC=CC=C21)OC(=O)NC)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(CC2=CC=CC=C21)OC(=O)NC)N)O

InChI

InChI=1S/C27H44N4O5/c1-6-7-12-30-25(34)18(2)13-23(32)21(28)15-27(3,4)16-24(33)31-17-20(36-26(35)29-5)14-19-10-8-9-11-22(19)31/h8-11,18,20-21,23,32H,6-7,12-17,28H2,1-5H3,(H,29,35)(H,30,34)