1-pyrrolidin-1-ylpropan-2-yl 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate

Systemtic Name: 1-pyrrolidin-1-ylpropan-2-yl 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate Openeye Name: (1-methyl-2-pyrrolidin-1-yl-ethyl) 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate CAS Name: 5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-carboxylic acid 1-(1-pyrrolidinyl)propan-2-yl ester IUPAC Name: 1-pyrrolidin-1-ylpropan-2-yl 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate Traditional Name: 5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-carboxylic acid (1-methyl-2-pyrrolidino-ethyl) ester Formula: C24H29NO3 MolecularWeight: 379.49196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCC1)OC(=O)C2(CCCOC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(CN1CCCC1)OC(=O)C2(CCCOC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C24H29NO3/c1-19(18-25-15-7-8-16-25)28-23(26)24(20-10-3-2-4-11-20)14-9-17-27-22-13-6-5-12-21(22)24/h2-6,10-13,19H,7-9,14-18H2,1H3