3-[4-[1-[4-(aminomethyl)phenyl]-2-oxidanylidene-pyrrolidin-3-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[1-[4-(aminomethyl)phenyl]-2-oxidanylidene-pyrrolidin-3-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-[4-(aminomethyl)phenyl]-2-oxo-pyrrolidin-3-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-[4-(aminomethyl)phenyl]-2-oxo-3-pyrrolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-[4-(aminomethyl)phenyl]-2-oxopyrrolidin-3-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-[4-(aminomethyl)phenyl]-2-keto-pyrrolidin-3-yl]phenyl]propionic acid Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)CN

Isomeric SMILES

C1CN(C(=O)C1C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)CN

InChI

InChI=1S/C20H22N2O3/c21-13-15-3-8-17(9-4-15)22-12-11-18(20(22)25)16-6-1-14(2-7-16)5-10-19(23)24/h1-4,6-9,18H,5,10-13,21H2,(H,23,24)