9H-fluoren-9-ylmethyl 6-(5-cyano-1H-pyrrol-2-yl)-2,4,4-trimethyl-2H-3,1-benzoxazine-1-carboxylate

Systemtic Name: 9H-fluoren-9-ylmethyl 6-(5-cyano-1H-pyrrol-2-yl)-2,4,4-trimethyl-2H-3,1-benzoxazine-1-carboxylate Openeye Name: 9H-fluoren-9-ylmethyl 6-(5-cyano-1H-pyrrol-2-yl)-2,4,4-trimethyl-2H-3,1-benzoxazine-1-carboxylate CAS Name: 6-(5-cyano-1H-pyrrol-2-yl)-2,4,4-trimethyl-2H-3,1-benzoxazine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl 6-(5-cyano-1H-pyrrol-2-yl)-2,4,4-trimethyl-2H-3,1-benzoxazine-1-carboxylate Traditional Name: 6-(5-cyano-1H-pyrrol-2-yl)-2,4,4-trimethyl-2H-3,1-benzoxazine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester Formula: C31H27N3O3 MolecularWeight: 489.56438

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(C=C(C=C2)C3=CC=C(N3)C#N)C(O1)(C)C)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

CC1N(C2=C(C=C(C=C2)C3=CC=C(N3)C#N)C(O1)(C)C)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C31H27N3O3/c1-19-34(29-15-12-20(16-27(29)31(2,3)37-19)28-14-13-21(17-32)33-28)30(35)36-18-26-24-10-6-4-8-22(24)23-9-5-7-11-25(23)26/h4-16,19,26,33H,18H2,1-3H3