(4-methyl-3-nitro-phenyl)methyl 2-methyl-5-(2-pyrrolidin-1-ylethyl)-1H-indole-3-carboxylate

Systemtic Name: (4-methyl-3-nitro-phenyl)methyl 2-methyl-5-(2-pyrrolidin-1-ylethyl)-1H-indole-3-carboxylate Openeye Name: (4-methyl-3-nitro-phenyl)methyl 2-methyl-5-(2-pyrrolidin-1-ylethyl)-1H-indole-3-carboxylate CAS Name: 2-methyl-5-[2-(1-pyrrolidinyl)ethyl]-1H-indole-3-carboxylic acid (4-methyl-3-nitrophenyl)methyl ester IUPAC Name: (4-methyl-3-nitrophenyl)methyl 2-methyl-5-(2-pyrrolidin-1-ylethyl)-1H-indole-3-carboxylate Traditional Name: 2-methyl-5-(2-pyrrolidinoethyl)-1H-indole-3-carboxylic acid (4-methyl-3-nitro-benzyl) ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)COC(=O)C2=C(NC3=C2C=C(C=C3)CCN4CCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)COC(=O)C2=C(NC3=C2C=C(C=C3)CCN4CCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O4/c1-16-5-6-19(14-22(16)27(29)30)15-31-24(28)23-17(2)25-21-8-7-18(13-20(21)23)9-12-26-10-3-4-11-26/h5-8,13-14,25H,3-4,9-12,15H2,1-2H3