dodecyl 4-chloranyl-3-[2-(3-dodecyl-4-oxidanylidene-quinazolin-2-yl)ethanoylamino]benzoate

Systemtic Name: dodecyl 4-chloranyl-3-[2-(3-dodecyl-4-oxidanylidene-quinazolin-2-yl)ethanoylamino]benzoate Openeye Name: dodecyl 4-chloro-3-[[2-(3-dodecyl-4-oxo-quinazolin-2-yl)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(3-dodecyl-4-oxo-2-quinazolinyl)-1-oxoethyl]amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[[2-(3-dodecyl-4-oxoquinazolin-2-yl)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(4-keto-3-lauryl-quinazolin-2-yl)acetyl]amino]benzoic acid lauryl ester Formula: C41H60ClN3O4 MolecularWeight: 694.3858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=NC2=CC=CC=C2C1=O)CC(=O)NC3=C(C=CC(=C3)C(=O)OCCCCCCCCCCCC)Cl

Isomeric SMILES

CCCCCCCCCCCCN1C(=NC2=CC=CC=C2C1=O)CC(=O)NC3=C(C=CC(=C3)C(=O)OCCCCCCCCCCCC)Cl

InChI

InChI=1S/C41H60ClN3O4/c1-3-5-7-9-11-13-15-17-19-23-29-45-38(43-36-26-22-21-25-34(36)40(45)47)32-39(46)44-37-31-33(27-28-35(37)42)41(48)49-30-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-28,31H,3-20,23-24,29-30,32H2,1-2H3,(H,44,46)