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

Systemtic Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(pyrrolidin-1-ylmethyl)benzoic acid Openeye Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(pyrrolidin-1-ylmethyl)benzoic acid CAS Name: 2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-4-(1-pyrrolidinylmethyl)benzoic acid IUPAC Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(pyrrolidin-1-ylmethyl)benzoic acid Traditional Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(pyrrolidinomethyl)benzoic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)CN2CCCC2)C(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)CN2CCCC2)C(=O)O)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H26N2O3/c1-18(21-10-9-20-6-2-3-7-22(20)16-21)14-25(29)27-24-15-19(8-11-23(24)26(30)31)17-28-12-4-5-13-28/h2-3,6-11,14-16H,4-5,12-13,17H2,1H3,(H,27,29)(H,30,31)/b18-14-