ditert-butyl 5-(2,6-dimethylphenyl)imino-4,6-diphenyl-1,3-dihydropentalene-2,2-dicarboxylate

Systemtic Name: ditert-butyl 5-(2,6-dimethylphenyl)imino-4,6-diphenyl-1,3-dihydropentalene-2,2-dicarboxylate Openeye Name: ditert-butyl 5-(2,6-dimethylphenyl)imino-4,6-diphenyl-1,3-dihydropentalene-2,2-dicarboxylate CAS Name: 5-(2,6-dimethylphenyl)imino-4,6-diphenyl-1,3-dihydropentalene-2,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 5-(2,6-dimethylphenyl)imino-4,6-diphenyl-1,3-dihydropentalene-2,2-dicarboxylate Traditional Name: 5-(2,6-dimethylphenyl)imino-4,6-diphenyl-1,3-dihydropentalene-2,2-dicarboxylic acid ditert-butyl ester Formula: C38H41NO4 MolecularWeight: 575.73644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C2C(=C3CC(CC3=C2C4=CC=CC=C4)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C2C(=C3CC(CC3=C2C4=CC=CC=C4)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C5=CC=CC=C5

InChI

InChI=1S/C38H41NO4/c1-24-16-15-17-25(2)32(24)39-33-30(26-18-11-9-12-19-26)28-22-38(34(40)42-36(3,4)5,35(41)43-37(6,7)8)23-29(28)31(33)27-20-13-10-14-21-27/h9-21H,22-23H2,1-8H3