2-[7-(2-azanyl-2-oxidanylidene-ethyl)-11-(phenylmethyl)benzo[a]carbazol-6-yl]oxyethanoic acid

Systemtic Name: 2-[7-(2-azanyl-2-oxidanylidene-ethyl)-11-(phenylmethyl)benzo[a]carbazol-6-yl]oxyethanoic acid Openeye Name: 2-[7-(2-amino-2-oxo-ethyl)-11-benzyl-benzo[a]carbazol-6-yl]oxyacetic acid CAS Name: 2-[[7-(2-amino-2-oxoethyl)-11-(phenylmethyl)-6-benzo[a]carbazolyl]oxy]acetic acid IUPAC Name: 2-[7-(2-amino-2-oxoethyl)-11-benzylbenzo[a]carbazol-6-yl]oxyacetic acid Traditional Name: 2-[7-(2-amino-2-keto-ethyl)-11-benzyl-benzo[a]carbazol-6-yl]oxyacetic acid Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC(=C3C4=C2C5=CC=CC=C5C=C4OCC(=O)O)CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC(=C3C4=C2C5=CC=CC=C5C=C4OCC(=O)O)CC(=O)N

InChI

InChI=1S/C27H22N2O4/c28-23(30)14-19-10-6-12-21-25(19)26-22(33-16-24(31)32)13-18-9-4-5-11-20(18)27(26)29(21)15-17-7-2-1-3-8-17/h1-13H,14-16H2,(H2,28,30)(H,31,32)