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

Systemtic Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(pyrrolidin-1-ylcarbamoyl)benzoic acid Openeye Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(pyrrolidin-1-ylcarbamoyl)benzoic acid CAS Name: 2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-4-[oxo-(1-pyrrolidinylamino)methyl]benzoic acid IUPAC Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(pyrrolidin-1-ylcarbamoyl)benzoic acid Traditional Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(pyrrolidinocarbamoyl)benzoic acid Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C(=O)NN2CCCC2)C(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)C(=O)NN2CCCC2)C(=O)O)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H25N3O4/c1-17(19-9-8-18-6-2-3-7-20(18)15-19)14-24(30)27-23-16-21(10-11-22(23)26(32)33)25(31)28-29-12-4-5-13-29/h2-3,6-11,14-16H,4-5,12-13H2,1H3,(H,27,30)(H,28,31)(H,32,33)/b17-14-