propyl 3-[5-[(2R)-2-azanylpropyl]-7-cyano-2,3-dihydroindol-1-yl]benzoate

Systemtic Name: propyl 3-[5-[(2R)-2-azanylpropyl]-7-cyano-2,3-dihydroindol-1-yl]benzoate Openeye Name: propyl 3-[5-[(2R)-2-aminopropyl]-7-cyano-indolin-1-yl]benzoate CAS Name: 3-[5-[(2R)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]benzoic acid propyl ester IUPAC Name: propyl 3-[5-[(2R)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]benzoate Traditional Name: 3-[5-[(2R)-2-aminopropyl]-7-cyano-indolin-1-yl]benzoic acid propyl ester Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)N2CCC3=C2C(=CC(=C3)CC(C)N)C#N

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)N2CCC3=C2C(=CC(=C3)C[C@@H](C)N)C#N

InChI

InChI=1S/C22H25N3O2/c1-3-9-27-22(26)18-5-4-6-20(13-18)25-8-7-17-11-16(10-15(2)24)12-19(14-23)21(17)25/h4-6,11-13,15H,3,7-10,24H2,1-2H3/t15-/m1/s1