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

Systemtic Name: ethyl 4-[[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-pentyl-carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[[1-(o-tolylmethyl)pyrrol-2-yl]methyl-pentyl-carbamoyl]amino]benzoate CAS Name: 4-[[[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl-pentylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-pentylcarbamoyl]amino]benzoate Traditional Name: 4-[[amyl-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]carbamoyl]amino]benzoic acid ethyl ester Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C28H35N3O3/c1-4-6-9-18-31(28(33)29-25-16-14-23(15-17-25)27(32)34-5-2)21-26-13-10-19-30(26)20-24-12-8-7-11-22(24)3/h7-8,10-17,19H,4-6,9,18,20-21H2,1-3H3,(H,29,33)