methyl 2-[1-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl)-5-(phenylmethyl)benzo[b]carbazol-11-yl]oxyethanoate

Systemtic Name: methyl 2-[1-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl)-5-(phenylmethyl)benzo[b]carbazol-11-yl]oxyethanoate Openeye Name: methyl 2-[5-benzyl-1-(1-carbamoylvinyl)benzo[b]carbazol-11-yl]oxyacetate CAS Name: 2-[[1-(3-amino-3-oxoprop-1-en-2-yl)-5-(phenylmethyl)-11-benzo[b]carbazolyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[1-(3-amino-3-oxoprop-1-en-2-yl)-5-benzylbenzo[b]carbazol-11-yl]oxyacetate Traditional Name: 2-[5-benzyl-1-(1-carbamoylvinyl)benzo[b]carbazol-11-yl]oxyacetic acid methyl ester Formula: C29H24N2O4 MolecularWeight: 464.51186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C2C(=CC3=CC=CC=C31)N(C4=CC=CC(=C42)C(=C)C(=O)N)CC5=CC=CC=C5

Isomeric SMILES

COC(=O)COC1=C2C(=CC3=CC=CC=C31)N(C4=CC=CC(=C42)C(=C)C(=O)N)CC5=CC=CC=C5

InChI

InChI=1S/C29H24N2O4/c1-18(29(30)33)21-13-8-14-23-26(21)27-24(31(23)16-19-9-4-3-5-10-19)15-20-11-6-7-12-22(20)28(27)35-17-25(32)34-2/h3-15H,1,16-17H2,2H3,(H2,30,33)