methyl 2-[7-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl)-11-(phenylmethyl)benzo[a]carbazol-6-yl]oxyethanoate

Systemtic Name: methyl 2-[7-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl)-11-(phenylmethyl)benzo[a]carbazol-6-yl]oxyethanoate Openeye Name: methyl 2-[11-benzyl-7-(1-carbamoylvinyl)benzo[a]carbazol-6-yl]oxyacetate CAS Name: 2-[[7-(3-amino-3-oxoprop-1-en-2-yl)-11-(phenylmethyl)-6-benzo[a]carbazolyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[7-(3-amino-3-oxoprop-1-en-2-yl)-11-benzylbenzo[a]carbazol-6-yl]oxyacetate Traditional Name: 2-[11-benzyl-7-(1-carbamoylvinyl)benzo[a]carbazol-6-yl]oxyacetic acid methyl ester Formula: C29H24N2O4 MolecularWeight: 464.51186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC2=CC=CC=C2C3=C1C4=C(C=CC=C4N3CC5=CC=CC=C5)C(=C)C(=O)N

Isomeric SMILES

COC(=O)COC1=CC2=CC=CC=C2C3=C1C4=C(C=CC=C4N3CC5=CC=CC=C5)C(=C)C(=O)N

InChI

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