methyl 4-chloranyl-2-[ethanoyl-[3-(pyrrol-1-ylmethyl)phenyl]amino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[ethanoyl-[3-(pyrrol-1-ylmethyl)phenyl]amino]benzoate Openeye Name: methyl 2-[N-acetyl-3-(pyrrol-1-ylmethyl)anilino]-4-chloro-benzoate CAS Name: 2-[N-acetyl-3-(1-pyrrolylmethyl)anilino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 2-[N-acetyl-3-(pyrrol-1-ylmethyl)anilino]-4-chlorobenzoate Traditional Name: 2-[N-acetyl-3-(pyrrol-1-ylmethyl)anilino]-4-chloro-benzoic acid methyl ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC(=C1)CN2C=CC=C2)C3=C(C=CC(=C3)Cl)C(=O)OC

Isomeric SMILES

CC(=O)N(C1=CC=CC(=C1)CN2C=CC=C2)C3=C(C=CC(=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H19ClN2O3/c1-15(25)24(20-13-17(22)8-9-19(20)21(26)27-2)18-7-5-6-16(12-18)14-23-10-3-4-11-23/h3-13H,14H2,1-2H3