methyl 3-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-phenyl-amino]propanoate

Systemtic Name: methyl 3-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)-phenyl-amino]propanoate Openeye Name: methyl 3-(N-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)anilino)propanoate CAS Name: 3-(N-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)anilino)propanoate Traditional Name: 3-(N-(8-methyl-5H-pyrimid[5,4-b]indol-4-yl)anilino)propionic acid methyl ester Formula: C21H20N4O2 MolecularWeight: 360.4091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN=C3N(CCC(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN=C3N(CCC(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2/c1-14-8-9-17-16(12-14)19-20(24-17)21(23-13-22-19)25(11-10-18(26)27-2)15-6-4-3-5-7-15/h3-9,12-13,24H,10-11H2,1-2H3