4-[3-(dimethylamino)prop-1-ynyl]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[3-(dimethylamino)prop-1-ynyl]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 4-[3-(dimethylamino)prop-1-ynyl]-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 4-[3-(dimethylamino)prop-1-ynyl]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-[3-(dimethylamino)prop-1-ynyl]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 4-[3-(dimethylamino)prop-1-ynyl]-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C#CCN(C)C)C(=O)O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)C#CCN(C)C)C(=O)O)/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C26H24N2O3/c1-18(21-12-11-20-8-4-5-9-22(20)17-21)15-25(29)27-24-16-19(7-6-14-28(2)3)10-13-23(24)26(30)31/h4-5,8-13,15-17H,14H2,1-3H3,(H,27,29)(H,30,31)/b18-15-