1-[2-[(2-methoxyphenyl)amino]-1-(3-octadecyl-4-oxidanylidene-quinazolin-2-yl)-2-oxidanylidene-ethyl]pyrrole-3-carboxylic acid

Systemtic Name: 1-[2-[(2-methoxyphenyl)amino]-1-(3-octadecyl-4-oxidanylidene-quinazolin-2-yl)-2-oxidanylidene-ethyl]pyrrole-3-carboxylic acid Openeye Name: 1-[2-(2-methoxyanilino)-1-(3-octadecyl-4-oxo-quinazolin-2-yl)-2-oxo-ethyl]pyrrole-3-carboxylic acid CAS Name: 1-[2-(2-methoxyanilino)-1-(3-octadecyl-4-oxo-2-quinazolinyl)-2-oxoethyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[2-(2-methoxyanilino)-1-(3-octadecyl-4-oxoquinazolin-2-yl)-2-oxoethyl]pyrrole-3-carboxylic acid Traditional Name: 1-[2-keto-1-(4-keto-3-stearyl-quinazolin-2-yl)-2-(o-anisidino)ethyl]pyrrole-3-carboxylic acid Formula: C40H54N4O5 MolecularWeight: 670.88056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=O)C2=CC=CC=C2N=C1C(C(=O)NC3=CC=CC=C3OC)N4C=CC(=C4)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=O)C2=CC=CC=C2N=C1C(C(=O)NC3=CC=CC=C3OC)N4C=CC(=C4)C(=O)O

InChI

InChI=1S/C40H54N4O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-44-37(41-33-24-19-18-23-32(33)39(44)46)36(43-29-27-31(30-43)40(47)48)38(45)42-34-25-20-21-26-35(34)49-2/h18-21,23-27,29-30,36H,3-17,22,28H2,1-2H3,(H,42,45)(H,47,48)