4-[2-[[9-(phenylmethyl)carbazol-3-yl]carbonylamino]phenoxy]butanoic acid

Systemtic Name: 4-[2-[[9-(phenylmethyl)carbazol-3-yl]carbonylamino]phenoxy]butanoic acid Openeye Name: 4-[2-[(9-benzylcarbazole-3-carbonyl)amino]phenoxy]butanoic acid CAS Name: 4-[2-[[oxo-[9-(phenylmethyl)-3-carbazolyl]methyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-[(9-benzylcarbazole-3-carbonyl)amino]phenoxy]butanoic acid Traditional Name: 4-[2-[(9-benzylcarbazole-3-carbonyl)amino]phenoxy]butyric acid Formula: C30H26N2O4 MolecularWeight: 478.53844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4OCCCC(=O)O)C5=CC=CC=C52

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4OCCCC(=O)O)C5=CC=CC=C52

InChI

InChI=1S/C30H26N2O4/c33-29(34)15-8-18-36-28-14-7-5-12-25(28)31-30(35)22-16-17-27-24(19-22)23-11-4-6-13-26(23)32(27)20-21-9-2-1-3-10-21/h1-7,9-14,16-17,19H,8,15,18,20H2,(H,31,35)(H,33,34)