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

Systemtic Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-[(phenylmethyl)amino]benzoic acid Openeye Name: 4-(benzylamino)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-4-[(phenylmethyl)amino]benzoic acid IUPAC Name: 4-(benzylamino)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 4-(benzylamino)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C28H24N2O3 MolecularWeight: 436.50176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)NCC2=CC=CC=C2)C(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)NCC2=CC=CC=C2)C(=O)O)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H24N2O3/c1-19(22-12-11-21-9-5-6-10-23(21)16-22)15-27(31)30-26-17-24(13-14-25(26)28(32)33)29-18-20-7-3-2-4-8-20/h2-17,29H,18H2,1H3,(H,30,31)(H,32,33)/b19-15-