ethyl 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]-3-phenyl-propanoate Openeye Name: ethyl 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]-3-phenyl-propanoate CAS Name: 2-[(3-cyano-2-cyclohepta[b]pyrrolyl)amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]-3-phenylpropanoate Traditional Name: 2-[(3-cyanocyclohepta[b]pyrrol-2-yl)amino]-3-phenyl-propionic acid ethyl ester Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC2=C(C3=CC=CC=CC3=N2)C#N

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC2=C(C3=CC=CC=CC3=N2)C#N

InChI

InChI=1S/C21H19N3O2/c1-2-26-21(25)19(13-15-9-5-3-6-10-15)24-20-17(14-22)16-11-7-4-8-12-18(16)23-20/h3-12,19H,2,13H2,1H3,(H,23,24)