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

Systemtic Name: 2-[ethanoyl-[(4-pyrrol-1-ylphenyl)methyl]amino]-3-ethoxy-3-oxidanylidene-propanoate Openeye Name: 2-[acetyl-[(4-pyrrol-1-ylphenyl)methyl]amino]-3-ethoxy-3-oxo-propanoate CAS Name: 2-[acetyl-[[4-(1-pyrrolyl)phenyl]methyl]amino]-3-ethoxy-3-oxopropanoate IUPAC Name: 2-[acetyl-[(4-pyrrol-1-ylphenyl)methyl]amino]-3-ethoxy-3-oxopropanoate Traditional Name: 2-[acetyl-(4-pyrrol-1-ylbenzyl)amino]-3-ethoxy-3-keto-propionate Formula: C18H19N2O5- MolecularWeight: 343.35386

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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)/p-1