[1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-1-oxidanylidene-pentan-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-1-oxidanylidene-pentan-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: 1-[(2-benzyloxy-1-cyano-ethyl)carbamoyl]butyl 3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [1-[(1-cyano-2-phenylmethoxyethyl)amino]-1-oxopentan-2-yl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)amino]-1-oxopentan-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid 1-[(2-benzoxy-1-cyano-ethyl)carbamoyl]butyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(COCC1=CC=CC=C1)C#N)OC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCC(C(=O)NC(COCC1=CC=CC=C1)C#N)OC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C25H29N3O4/c1-2-8-23(32-25(30)28-14-13-20-11-6-7-12-21(20)16-28)24(29)27-22(15-26)18-31-17-19-9-4-3-5-10-19/h3-7,9-12,22-23H,2,8,13-14,16-18H2,1H3,(H,27,29)