ethanamine; methyl (Z)-3-[4-(3,3-diphenylpropyl)-2-ethanoyl-3,5-dimethyl-phenyl]-3-nitro-prop-2-enoate

Systemtic Name: ethanamine; methyl (Z)-3-[4-(3,3-diphenylpropyl)-2-ethanoyl-3,5-dimethyl-phenyl]-3-nitro-prop-2-enoate Openeye Name: ethanamine; methyl (Z)-3-[2-acetyl-4-(3,3-diphenylpropyl)-3,5-dimethyl-phenyl]-3-nitro-prop-2-enoate CAS Name: (Z)-3-[2-acetyl-4-(3,3-diphenylpropyl)-3,5-dimethylphenyl]-3-nitro-2-propenoic acid methyl ester; ethanamine IUPAC Name: ethanamine; methyl (Z)-3-[2-acetyl-4-(3,3-diphenylpropyl)-3,5-dimethylphenyl]-3-nitroprop-2-enoate Traditional Name: (Z)-3-[2-acetyl-4-(3,3-diphenylpropyl)-3,5-dimethyl-phenyl]-3-nitro-acrylic acid methyl ester; ethylamine Formula: C31H36N2O5 MolecularWeight: 516.62794

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Descriptors Computed from Structure

Canonical SMILES:

CCN.CC1=C(C(=C(C(=C1)C(=CC(=O)OC)[N+](=O)[O-])C(=O)C)C)CCC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCN.CC1=C(C(=C(C(=C1)/C(=C/C(=O)OC)/[N+](=O)[O-])C(=O)C)C)CCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H29NO5.C2H7N/c1-19-17-26(27(30(33)34)18-28(32)35-4)29(21(3)31)20(2)24(19)15-16-25(22-11-7-5-8-12-22)23-13-9-6-10-14-23;1-2-3/h5-14,17-18,25H,15-16H2,1-4H3;2-3H2,1H3/b27-18-;