1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-N-prop-2-enyl-3,4-dihydro-2H-quinoline-3-carboxamide

Systemtic Name: 1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-N-prop-2-enyl-3,4-dihydro-2H-quinoline-3-carboxamide Openeye Name: N-allyl-1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide CAS Name: 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-N-prop-2-enyl-3,4-dihydro-2H-quinoline-3-carboxamide IUPAC Name: 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-N-prop-2-enyl-3,4-dihydro-2H-quinoline-3-carboxamide Traditional Name: N-allyl-1-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide Formula: C29H46N4O4 MolecularWeight: 514.69994

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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)C(=O)NCC=C)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(CC2=CC=CC=C21)C(=O)NCC=C)N)O

InChI

InChI=1S/C29H46N4O4/c1-6-8-14-32-27(36)20(3)15-25(34)23(30)17-29(4,5)18-26(35)33-19-22(28(37)31-13-7-2)16-21-11-9-10-12-24(21)33/h7,9-12,20,22-23,25,34H,2,6,8,13-19,30H2,1,3-5H3,(H,31,37)(H,32,36)