tert-butyl 2-[4-[[(1Z,4E)-2-ethoxycarbonyl-3-oxidanylidene-nona-1,4-dienyl]-methyl-amino]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[(1Z,4E)-2-ethoxycarbonyl-3-oxidanylidene-nona-1,4-dienyl]-methyl-amino]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[(1Z,4E)-2-ethoxycarbonyl-3-oxo-nona-1,4-dienyl]-methyl-amino]phenyl]benzoate CAS Name: 2-[4-[[(1Z,4E)-2-ethoxycarbonyl-3-oxonona-1,4-dienyl]-methylamino]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[(1Z,4E)-2-ethoxycarbonyl-3-oxonona-1,4-dienyl]-methylamino]phenyl]benzoate Traditional Name: 2-[4-[[(1Z,4E)-2-carbethoxy-3-keto-nona-1,4-dienyl]-methyl-amino]phenyl]benzoic acid tert-butyl ester Formula: C30H37NO5 MolecularWeight: 491.61848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(=O)C(=CN(C)C1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(C)(C)C)C(=O)OCC

Isomeric SMILES

CCCC/C=C/C(=O)/C(=C/N(C)C1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(C)(C)C)/C(=O)OCC

InChI

InChI=1S/C30H37NO5/c1-7-9-10-11-16-27(32)26(28(33)35-8-2)21-31(6)23-19-17-22(18-20-23)24-14-12-13-15-25(24)29(34)36-30(3,4)5/h11-21H,7-10H2,1-6H3/b16-11+,26-21-