4-[2-[[4-[(2-bromophenyl)carbamoylamino]-3-methoxy-phenyl]-ethanoyl-amino]propoxy]benzoic acid

Systemtic Name: 4-[2-[[4-[(2-bromophenyl)carbamoylamino]-3-methoxy-phenyl]-ethanoyl-amino]propoxy]benzoic acid Openeye Name: 4-[2-[N-acetyl-4-[(2-bromophenyl)carbamoylamino]-3-methoxy-anilino]propoxy]benzoic acid CAS Name: 4-[2-[N-acetyl-4-[[(2-bromoanilino)-oxomethyl]amino]-3-methoxyanilino]propoxy]benzoic acid IUPAC Name: 4-[2-[N-acetyl-4-[(2-bromophenyl)carbamoylamino]-3-methoxyanilino]propoxy]benzoic acid Traditional Name: 4-[2-[N-acetyl-4-[(2-bromophenyl)carbamoylamino]-3-methoxy-anilino]propoxy]benzoic acid Formula: C26H26BrN3O6 MolecularWeight: 556.40514

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=C(C=C1)C(=O)O)N(C2=CC(=C(C=C2)NC(=O)NC3=CC=CC=C3Br)OC)C(=O)C

Isomeric SMILES

CC(COC1=CC=C(C=C1)C(=O)O)N(C2=CC(=C(C=C2)NC(=O)NC3=CC=CC=C3Br)OC)C(=O)C

InChI

InChI=1S/C26H26BrN3O6/c1-16(15-36-20-11-8-18(9-12-20)25(32)33)30(17(2)31)19-10-13-23(24(14-19)35-3)29-26(34)28-22-7-5-4-6-21(22)27/h4-14,16H,15H2,1-3H3,(H,32,33)(H2,28,29,34)