methyl 4-[2-[ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetyl]amino]benzoate CAS Name: 4-[[2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]amino]acetyl]amino]benzoic acid methyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22N4O4/c1-3-25(12-18-23-17-7-5-4-6-16(17)20(27)24-18)13-19(26)22-15-10-8-14(9-11-15)21(28)29-2/h4-11H,3,12-13H2,1-2H3,(H,22,26)(H,23,24,27)