2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-pyrrolidin-1-yl-benzoic acid Openeye Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-pyrrolidin-1-yl-benzoic acid CAS Name: 2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-4-(1-pyrrolidinyl)benzoic acid IUPAC Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-pyrrolidin-1-ylbenzoic acid Traditional Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-pyrrolidino-benzoic acid Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)N2CCCC2)C(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)N2CCCC2)C(=O)O)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H24N2O3/c1-17(19-9-8-18-6-2-3-7-20(18)15-19)14-24(28)26-23-16-21(27-12-4-5-13-27)10-11-22(23)25(29)30/h2-3,6-11,14-16H,4-5,12-13H2,1H3,(H,26,28)(H,29,30)/b17-14-