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

Systemtic Name: 2-[4-(3-cyanopropyl)-2-oxidanylidene-5-(phenoxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[4-(3-cyanopropyl)-2-oxo-5-(phenoxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[4-(3-cyanopropyl)-2-oxo-5-(phenoxymethyl)-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-(3-cyanopropyl)-2-oxo-5-(phenoxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[4-(3-cyanopropyl)-2-keto-5-(phenoxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C(C(C(C2=O)CC(=O)O)CCCC#N)COC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C(C(C(C2=O)CC(=O)O)CCCC#N)COC3=CC=CC=C3

InChI

InChI=1S/C26H30N2O4/c27-16-8-7-15-22-23(18-25(29)30)26(31)28(17-9-12-20-10-3-1-4-11-20)24(22)19-32-21-13-5-2-6-14-21/h1-6,10-11,13-14,22-24H,7-9,12,15,17-19H2,(H,29,30)