1,4-bis[4,4-dimethyl-6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexen-1-yl]butane-1,4-dione

Systemtic Name: 1,4-bis[4,4-dimethyl-6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexen-1-yl]butane-1,4-dione Openeye Name: 1,4-bis[2-(benzylamino)-4,4-dimethyl-6-oxo-cyclohexen-1-yl]butane-1,4-dione CAS Name: 1,4-bis[4,4-dimethyl-6-oxo-2-[(phenylmethyl)amino]-1-cyclohexenyl]butane-1,4-dione IUPAC Name: 1,4-bis[2-(benzylamino)-4,4-dimethyl-6-oxocyclohexen-1-yl]butane-1,4-dione Traditional Name: 1,4-bis[2-(benzylamino)-6-keto-4,4-dimethyl-cyclohexen-1-yl]butane-1,4-dione Formula: C34H40N2O4 MolecularWeight: 540.6924

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=O)CCC(=O)C2=C(CC(CC2=O)(C)C)NCC3=CC=CC=C3)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=O)CCC(=O)C2=C(CC(CC2=O)(C)C)NCC3=CC=CC=C3)NCC4=CC=CC=C4)C

InChI

InChI=1S/C34H40N2O4/c1-33(2)17-25(35-21-23-11-7-5-8-12-23)31(29(39)19-33)27(37)15-16-28(38)32-26(18-34(3,4)20-30(32)40)36-22-24-13-9-6-10-14-24/h5-14,35-36H,15-22H2,1-4H3