methyl 3-[3-(1-methylindol-5-yl)-5-nitro-4-(1-phenylethoxy)phenyl]propanoate

Systemtic Name: methyl 3-[3-(1-methylindol-5-yl)-5-nitro-4-(1-phenylethoxy)phenyl]propanoate Openeye Name: methyl 3-[3-(1-methylindol-5-yl)-5-nitro-4-(1-phenylethoxy)phenyl]propanoate CAS Name: 3-[3-(1-methyl-5-indolyl)-5-nitro-4-(1-phenylethoxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(1-methylindol-5-yl)-5-nitro-4-(1-phenylethoxy)phenyl]propanoate Traditional Name: 3-[3-(1-methylindol-5-yl)-5-nitro-4-(1-phenylethoxy)phenyl]propionic acid methyl ester Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=C(C=C(C=C2C3=CC4=C(C=C3)N(C=C4)C)CCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)OC2=C(C=C(C=C2C3=CC4=C(C=C3)N(C=C4)C)CCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H26N2O5/c1-18(20-7-5-4-6-8-20)34-27-23(21-10-11-24-22(17-21)13-14-28(24)2)15-19(9-12-26(30)33-3)16-25(27)29(31)32/h4-8,10-11,13-18H,9,12H2,1-3H3