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

Systemtic Name: tetradecyl 3-[2-(3-dodecyl-4-oxidanylidene-quinazolin-2-yl)ethanoylamino]-4-methoxy-benzoate Openeye Name: tetradecyl 3-[[2-(3-dodecyl-4-oxo-quinazolin-2-yl)acetyl]amino]-4-methoxy-benzoate CAS Name: 3-[[2-(3-dodecyl-4-oxo-2-quinazolinyl)-1-oxoethyl]amino]-4-methoxybenzoic acid tetradecyl ester IUPAC Name: tetradecyl 3-[[2-(3-dodecyl-4-oxoquinazolin-2-yl)acetyl]amino]-4-methoxybenzoate Traditional Name: 3-[[2-(4-keto-3-lauryl-quinazolin-2-yl)acetyl]amino]-4-methoxy-benzoic acid myristyl ester Formula: C44H67N3O5 MolecularWeight: 718.01988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)OC)NC(=O)CC2=NC3=CC=CC=C3C(=O)N2CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)OC)NC(=O)CC2=NC3=CC=CC=C3C(=O)N2CCCCCCCCCCCC

InChI

InChI=1S/C44H67N3O5/c1-4-6-8-10-12-14-16-17-19-21-23-27-33-52-44(50)36-30-31-40(51-3)39(34-36)46-42(48)35-41-45-38-29-25-24-28-37(38)43(49)47(41)32-26-22-20-18-15-13-11-9-7-5-2/h24-25,28-31,34H,4-23,26-27,32-33,35H2,1-3H3,(H,46,48)