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

Systemtic Name: 4-[3-(dimethylamino)propylcarbamoyl]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 4-[3-(dimethylamino)propylcarbamoyl]-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 4-[[3-(dimethylamino)propylamino]-oxomethyl]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-[3-(dimethylamino)propylcarbamoyl]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 4-[3-(dimethylamino)propylcarbamoyl]-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C(=O)NCCCN(C)C)C(=O)O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4/c1-18(20-10-9-19-7-4-5-8-21(19)16-20)15-25(31)29-24-17-22(11-12-23(24)27(33)34)26(32)28-13-6-14-30(2)3/h4-5,7-12,15-17H,6,13-14H2,1-3H3,(H,28,32)(H,29,31)(H,33,34)/b18-15-