methyl 3-[3-methyl-1-(3-phenylpropyl)indol-6-yl]-4-nitro-butanoate

Systemtic Name: methyl 3-[3-methyl-1-(3-phenylpropyl)indol-6-yl]-4-nitro-butanoate Openeye Name: methyl 3-[3-methyl-1-(3-phenylpropyl)indol-6-yl]-4-nitro-butanoate CAS Name: 3-[3-methyl-1-(3-phenylpropyl)-6-indolyl]-4-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-[3-methyl-1-(3-phenylpropyl)indol-6-yl]-4-nitrobutanoate Traditional Name: 3-[3-methyl-1-(3-phenylpropyl)indol-6-yl]-4-nitro-butyric acid methyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=CC(=C2)C(CC(=O)OC)C[N+](=O)[O-])CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CN(C2=C1C=CC(=C2)C(CC(=O)OC)C[N+](=O)[O-])CCCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4/c1-17-15-24(12-6-9-18-7-4-3-5-8-18)22-13-19(10-11-21(17)22)20(16-25(27)28)14-23(26)29-2/h3-5,7-8,10-11,13,15,20H,6,9,12,14,16H2,1-2H3