[3-(quinazolin-4-ylamino)phenyl] 4-chloranylbenzoate

Systemtic Name: [3-(quinazolin-4-ylamino)phenyl] 4-chloranylbenzoate Openeye Name: [3-(quinazolin-4-ylamino)phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-(4-quinazolinylamino)phenyl] ester IUPAC Name: [3-(quinazolin-4-ylamino)phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-(quinazolin-4-ylamino)phenyl] ester Formula: C21H14ClN3O2 MolecularWeight: 375.80776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H14ClN3O2/c22-15-10-8-14(9-11-15)21(26)27-17-5-3-4-16(12-17)25-20-18-6-1-2-7-19(18)23-13-24-20/h1-13H,(H,23,24,25)