2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-[(propan-2-ylamino)methyl]benzoic acid

Systemtic Name: 2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-[(propan-2-ylamino)methyl]benzoic acid Openeye Name: 4-[(isopropylamino)methyl]-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-4-[(propan-2-ylamino)methyl]benzoic acid IUPAC Name: 2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-[(propan-2-ylamino)methyl]benzoic acid Traditional Name: 4-[(isopropylamino)methyl]-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CC(=C(C=C1)C(=O)O)NC(=O)C=C(C)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)NCC1=CC(=C(C=C1)C(=O)O)NC(=O)/C=C(\C)/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H26N2O3/c1-16(2)26-15-18-8-11-22(25(29)30)23(13-18)27-24(28)12-17(3)20-10-9-19-6-4-5-7-21(19)14-20/h4-14,16,26H,15H2,1-3H3,(H,27,28)(H,29,30)/b17-12+