2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-5-[(4-phenoxyphenyl)carbamoylamino]benzoic acid

Systemtic Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-5-[(4-phenoxyphenyl)carbamoylamino]benzoic acid Openeye Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-5-[(4-phenoxyphenyl)carbamoylamino]benzoic acid CAS Name: 2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-5-[[oxo-(4-phenoxyanilino)methyl]amino]benzoic acid IUPAC Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-5-[(4-phenoxyphenyl)carbamoylamino]benzoic acid Traditional Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-5-[(4-phenoxyphenyl)carbamoylamino]benzoic acid Formula: C34H27N3O5 MolecularWeight: 557.59528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O)/C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C34H27N3O5/c1-22(24-12-11-23-7-5-6-8-25(23)20-24)19-32(38)37-31-18-15-27(21-30(31)33(39)40)36-34(41)35-26-13-16-29(17-14-26)42-28-9-3-2-4-10-28/h2-21H,1H3,(H,37,38)(H,39,40)(H2,35,36,41)/b22-19-