[3-(quinazolin-4-ylamino)phenyl] 4-tert-butylbenzoate

Systemtic Name: [3-(quinazolin-4-ylamino)phenyl] 4-tert-butylbenzoate Openeye Name: [3-(quinazolin-4-ylamino)phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-(4-quinazolinylamino)phenyl] ester IUPAC Name: [3-(quinazolin-4-ylamino)phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-(quinazolin-4-ylamino)phenyl] ester Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C25H23N3O2/c1-25(2,3)18-13-11-17(12-14-18)24(29)30-20-8-6-7-19(15-20)28-23-21-9-4-5-10-22(21)26-16-27-23/h4-16H,1-3H3,(H,26,27,28)