methyl 3-[4-[1-[4-(aminomethyl)cyclohexyl]-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[1-[4-(aminomethyl)cyclohexyl]-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-[4-(aminomethyl)cyclohexyl]-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate CAS Name: 3-[4-[1-[4-(aminomethyl)cyclohexyl]-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-[4-(aminomethyl)cyclohexyl]-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate Traditional Name: 3-[4-[1-[4-(aminomethyl)cyclohexyl]-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]propionic acid methyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1)C2CCC(CC2)CN)C3=CC=C(C=C3)CCC(=O)OC

Isomeric SMILES

COC1=C(C(=O)N(C1)C2CCC(CC2)CN)C3=CC=C(C=C3)CCC(=O)OC

InChI

InChI=1S/C22H30N2O4/c1-27-19-14-24(18-10-5-16(13-23)6-11-18)22(26)21(19)17-8-3-15(4-9-17)7-12-20(25)28-2/h3-4,8-9,16,18H,5-7,10-14,23H2,1-2H3