ethyl 4-[[butyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]carbamoyl]amino]benzoate

Systemtic Name: ethyl 4-[[butyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[butyl-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]carbamoyl]amino]benzoate CAS Name: 4-[[[butyl-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[butyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]carbamoyl]amino]benzoate Traditional Name: 4-[[butyl-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]carbamoyl]amino]benzoic acid ethyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C27H33N3O3/c1-4-6-16-30(27(32)28-24-14-12-23(13-15-24)26(31)33-5-2)20-25-11-8-17-29(25)19-22-10-7-9-21(3)18-22/h7-15,17-18H,4-6,16,19-20H2,1-3H3,(H,28,32)