ethyl 8-methyl-7-phenyl-2-(phenylmethyl)-1,3-dihydropyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate

Systemtic Name: ethyl 8-methyl-7-phenyl-2-(phenylmethyl)-1,3-dihydropyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate Openeye Name: ethyl 2-benzyl-8-methyl-7-phenyl-1,3-dihydropyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate CAS Name: 8-methyl-7-phenyl-2-(phenylmethyl)-1,3-dihydropyrrolo[3,2-f][1,3]benzoxazine-9-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-8-methyl-7-phenyl-1,3-dihydropyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate Traditional Name: 2-benzyl-8-methyl-7-phenyl-1,3-dihydropyrrolo[3,2-f][1,3]benzoxazine-9-carboxylic acid ethyl ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C3=C(C=C2)OCN(C3)CC4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C3=C(C=C2)OCN(C3)CC4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H26N2O3/c1-3-31-27(30)25-19(2)29(21-12-8-5-9-13-21)23-14-15-24-22(26(23)25)17-28(18-32-24)16-20-10-6-4-7-11-20/h4-15H,3,16-18H2,1-2H3