4-[9-(butylamino)-5-formamido-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[9-(butylamino)-5-formamido-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[9-(butylamino)-5-formamido-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[9-(butylamino)-5-formamido-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[9-(butylamino)-5-formamido-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[9-(butylamino)-5-formamido-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C27H42N4O6 MolecularWeight: 518.64558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NC)NC=O)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NC)NC=O)O

InChI

InChI=1S/C27H42N4O6/c1-6-7-12-29-25(35)18(2)13-21(33)19(30-17-32)14-27(3,4)15-24(34)31-16-23(26(36)28-5)37-22-11-9-8-10-20(22)31/h8-11,17-19,21,23,33H,6-7,12-16H2,1-5H3,(H,28,36)(H,29,35)(H,30,32)