2-[ethanoyl-[(4-pyrrol-1-ylphenyl)methyl]amino]-3-ethoxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[ethanoyl-[(4-pyrrol-1-ylphenyl)methyl]amino]-3-ethoxy-3-oxidanylidene-propanoic acid Openeye Name: 2-[acetyl-[(4-pyrrol-1-ylphenyl)methyl]amino]-3-ethoxy-3-oxo-propanoic acid CAS Name: 2-[acetyl-[[4-(1-pyrrolyl)phenyl]methyl]amino]-3-ethoxy-3-oxopropanoic acid IUPAC Name: 2-[acetyl-[(4-pyrrol-1-ylphenyl)methyl]amino]-3-ethoxy-3-oxopropanoic acid Traditional Name: 2-[acetyl-(4-pyrrol-1-ylbenzyl)amino]-3-ethoxy-3-keto-propionic acid Formula: C18H20N2O5 MolecularWeight: 344.3618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)O)N(CC1=CC=C(C=C1)N2C=CC=C2)C(=O)C

Isomeric SMILES

CCOC(=O)C(C(=O)O)N(CC1=CC=C(C=C1)N2C=CC=C2)C(=O)C

InChI

InChI=1S/C18H20N2O5/c1-3-25-18(24)16(17(22)23)20(13(2)21)12-14-6-8-15(9-7-14)19-10-4-5-11-19/h4-11,16H,3,12H2,1-2H3,(H,22,23)