3-cyanopropyl 4,6-dimethyl-1H-indole-2-carboxylate

Systemtic Name: 3-cyanopropyl 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: 3-cyanopropyl 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-carboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-carboxylic acid 3-cyanopropyl ester Formula: C15H16N2O2 MolecularWeight: 256.29974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)OCCCC#N)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)OCCCC#N)C

InChI

InChI=1S/C15H16N2O2/c1-10-7-11(2)12-9-14(17-13(12)8-10)15(18)19-6-4-3-5-16/h7-9,17H,3-4,6H2,1-2H3