methyl 2-[2-(aminomethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrol-3-yl]propanoate

Systemtic Name: methyl 2-[2-(aminomethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrol-3-yl]propanoate Openeye Name: methyl 2-[2-(aminomethyl)-4-(3-methoxy-3-oxo-propyl)-1H-pyrrol-3-yl]propanoate CAS Name: 2-[2-(aminomethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 2-[2-(aminomethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-3-yl]propanoate Traditional Name: 2-[2-(aminomethyl)-4-(3-keto-3-methoxy-propyl)-1H-pyrrol-3-yl]propionic acid methyl ester Formula: C13H20N2O4 MolecularWeight: 268.3089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(NC=C1CCC(=O)OC)CN)C(=O)OC

Isomeric SMILES

CC(C1=C(NC=C1CCC(=O)OC)CN)C(=O)OC

InChI

InChI=1S/C13H20N2O4/c1-8(13(17)19-3)12-9(4-5-11(16)18-2)7-15-10(12)6-14/h7-8,15H,4-6,14H2,1-3H3