4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[benzyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]amino]-4-oxo-butanoate CAS Name: 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-(phenylmethyl)amino]-4-oxobutanoate IUPAC Name: 4-[benzyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]amino]-4-oxobutanoate Traditional Name: 4-[benzyl-[(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl]amino]-4-keto-butyrate Formula: C21H25N2O5- MolecularWeight: 385.4336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CN(CC2=CC=CC=C2)C(=O)CCC(=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CN(CC2=CC=CC=C2)C(=O)CCC(=O)[O-])C

InChI

InChI=1S/C21H26N2O5/c1-4-28-21(27)20-14(2)17(15(3)22-20)13-23(18(24)10-11-19(25)26)12-16-8-6-5-7-9-16/h5-9,22H,4,10-13H2,1-3H3,(H,25,26)/p-1