ethyl 1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-2,4-dihydroquinazoline-3-carboxylate

Systemtic Name: ethyl 1-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-2,4-dihydroquinazoline-3-carboxylate Openeye Name: ethyl 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-2,4-dihydroquinazoline-3-carboxylate CAS Name: 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-2,4-dihydroquinazoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-2,4-dihydroquinazoline-3-carboxylate Traditional Name: 1-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-2,4-dihydroquinazoline-3-carboxylic acid ethyl 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)N1CN(CC2=CC=CC=C21)C(=O)OCC)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CN(CC2=CC=CC=C21)C(=O)OCC)N)O

InChI

InChI=1S/C27H44N4O5/c1-6-8-13-29-25(34)19(3)14-23(32)21(28)15-27(4,5)16-24(33)31-18-30(26(35)36-7-2)17-20-11-9-10-12-22(20)31/h9-12,19,21,23,32H,6-8,13-18,28H2,1-5H3,(H,29,34)