4-[2-(ethylamino)-1-[2-(2-methylpyrrolidin-1-yl)phenyl]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[2-(ethylamino)-1-[2-(2-methylpyrrolidin-1-yl)phenyl]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-(ethylamino)-1-[2-(2-methylpyrrolidin-1-yl)phenyl]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-(ethylamino)-1-[2-(2-methyl-1-pyrrolidinyl)phenyl]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-(ethylamino)-1-[2-(2-methylpyrrolidin-1-yl)phenyl]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-(ethylamino)-2-keto-1-[2-(2-methylpyrrolidino)phenyl]ethyl]benzoic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C1=CC=C(C=C1)C(=O)O)C2=CC=CC=C2N3CCCC3C

Isomeric SMILES

CCNC(=O)C(C1=CC=C(C=C1)C(=O)O)C2=CC=CC=C2N3CCCC3C

InChI

InChI=1S/C22H26N2O3/c1-3-23-21(25)20(16-10-12-17(13-11-16)22(26)27)18-8-4-5-9-19(18)24-14-6-7-15(24)2/h4-5,8-13,15,20H,3,6-7,14H2,1-2H3,(H,23,25)(H,26,27)