[1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl-(phenylcarbonyl)amino] benzoate

Systemtic Name: [1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl-(phenylcarbonyl)amino] benzoate Openeye Name: [benzoyl-[1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]amino] benzoate CAS Name: benzoic acid [benzoyl-[1-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]ethyl]amino] ester IUPAC Name: [benzoyl-[1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]amino] benzoate Traditional Name: benzoic acid [benzoyl-[1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]amino] ester Formula: C28H26N2O3 MolecularWeight: 438.51764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(C)N(C(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(C)N(C(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C28H26N2O3/c1-20-14-15-21(2)29(20)26-18-16-23(17-19-26)22(3)30(27(31)24-10-6-4-7-11-24)33-28(32)25-12-8-5-9-13-25/h4-19,22H,1-3H3