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

Systemtic Name: 9H-fluoren-9-ylmethyl 6-(5-cyano-1-methyl-pyrrol-2-yl)-2,4,4-trimethyl-2H-3,1-benzoxazine-1-carboxylate Openeye Name: 9H-fluoren-9-ylmethyl 6-(5-cyano-1-methyl-pyrrol-2-yl)-2,4,4-trimethyl-2H-3,1-benzoxazine-1-carboxylate CAS Name: 6-(5-cyano-1-methyl-2-pyrrolyl)-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-1-methylpyrrol-2-yl)-2,4,4-trimethyl-2H-3,1-benzoxazine-1-carboxylate Traditional Name: 6-(5-cyano-1-methyl-pyrrol-2-yl)-2,4,4-trimethyl-2H-3,1-benzoxazine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester Formula: C32H29N3O3 MolecularWeight: 503.59096

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(C=C(C=C2)C3=CC=C(N3C)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(N3C)C#N)C(O1)(C)C)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C32H29N3O3/c1-20-35(31(36)37-19-27-25-11-7-5-9-23(25)24-10-6-8-12-26(24)27)30-15-13-21(17-28(30)32(2,3)38-20)29-16-14-22(18-33)34(29)4/h5-17,20,27H,19H2,1-4H3