2-[4-(3-cyanopropyl)-3-methyl-2-oxidanylidene-5-(phenoxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-(3-cyanopropyl)-3-methyl-2-oxidanylidene-5-(phenoxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[4-(3-cyanopropyl)-3-methyl-2-oxo-5-(phenoxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[4-(3-cyanopropyl)-3-methyl-2-oxo-5-(phenoxymethyl)-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-(3-cyanopropyl)-3-methyl-2-oxo-5-(phenoxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[4-(3-cyanopropyl)-2-keto-3-methyl-5-(phenoxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(N(C1=O)CCCC2=CC=CC=C2)COC3=CC=CC=C3)CCCC#N)CC(=O)O

Isomeric SMILES

CC1(C(C(N(C1=O)CCCC2=CC=CC=C2)COC3=CC=CC=C3)CCCC#N)CC(=O)O

InChI

InChI=1S/C27H32N2O4/c1-27(19-25(30)31)23(16-8-9-17-28)24(20-33-22-14-6-3-7-15-22)29(26(27)32)18-10-13-21-11-4-2-5-12-21/h2-7,11-12,14-15,23-24H,8-10,13,16,18-20H2,1H3,(H,30,31)