2,2-bis[2-[[4-[(Z)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-3-methyl-phenyl]-ethyl-amino]ethyl]hexanedioate

Systemtic Name: 2,2-bis[2-[[4-[(Z)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-3-methyl-phenyl]-ethyl-amino]ethyl]hexanedioate Openeye Name: 2,2-bis[2-[4-[(Z)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]-N-ethyl-3-methyl-anilino]ethyl]hexanedioate CAS Name: 2,2-bis[2-[4-[(Z)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]ethyl]hexanedioate IUPAC Name: 2,2-bis[2-[4-[(Z)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-N-ethyl-3-methylanilino]ethyl]hexanedioate Traditional Name: 2,2-bis[2-[4-[(Z)-2-cyano-3-keto-3-methoxy-prop-1-enyl]-N-ethyl-3-methyl-anilino]ethyl]adipate Formula: C38H44N4O8-2 MolecularWeight: 684.77796

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(CCCC(=O)[O-])(CCN(CC)C1=CC(=C(C=C1)C=C(C#N)C(=O)OC)C)C(=O)[O-])C2=CC(=C(C=C2)C=C(C#N)C(=O)OC)C

Isomeric SMILES

CCN(C1=CC(=C(C=C1)/C=C(\C(=O)OC)/C#N)C)CCC(C(=O)[O-])(CCN(C2=CC(=C(C=C2)/C=C(\C(=O)OC)/C#N)C)CC)CCCC(=O)[O-]

InChI

InChI=1S/C38H46N4O8/c1-7-41(32-13-11-28(26(3)20-32)22-30(24-39)35(45)49-5)18-16-38(37(47)48,15-9-10-34(43)44)17-19-42(8-2)33-14-12-29(27(4)21-33)23-31(25-40)36(46)50-6/h11-14,20-23H,7-10,15-19H2,1-6H3,(H,43,44)(H,47,48)/p-2/b30-22-,31-23-