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

Systemtic Name: ethyl 2-[[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-pentyl-carbamoyl]amino]ethanoate Openeye Name: ethyl 2-[[[1-(o-tolylmethyl)pyrrol-2-yl]methyl-pentyl-carbamoyl]amino]acetate CAS Name: 2-[[[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl-pentylamino]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-pentylcarbamoyl]amino]acetate Traditional Name: 2-[[amyl-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]carbamoyl]amino]acetic acid ethyl ester Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NCC(=O)OCC

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NCC(=O)OCC

InChI

InChI=1S/C23H33N3O3/c1-4-6-9-14-26(23(28)24-16-22(27)29-5-2)18-21-13-10-15-25(21)17-20-12-8-7-11-19(20)3/h7-8,10-13,15H,4-6,9,14,16-18H2,1-3H3,(H,24,28)