methyl 2-[2-(8-bromanyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[2-(8-bromanyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[2-(8-bromo-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[2-(8-bromo-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-oxoethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(8-bromo-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[2-(8-bromo-2-methyl-3,4-dihydro-1H-pyrid[4,3-b]indol-5-yl)acetyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C18H22BrN3O4 MolecularWeight: 424.28898

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C3=C(N2CC(=O)NC(CO)C(=O)OC)C=CC(=C3)Br

Isomeric SMILES

CN1CCC2=C(C1)C3=C(N2CC(=O)NC(CO)C(=O)OC)C=CC(=C3)Br

InChI

InChI=1S/C18H22BrN3O4/c1-21-6-5-16-13(8-21)12-7-11(19)3-4-15(12)22(16)9-17(24)20-14(10-23)18(25)26-2/h3-4,7,14,23H,5-6,8-10H2,1-2H3,(H,20,24)