ethyl 2-[[butyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]carbamoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[butyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]carbamoyl]amino]ethanoate Openeye Name: ethyl 2-[[(1-benzylpyrrol-2-yl)methyl-butyl-carbamoyl]amino]acetate CAS Name: 2-[[[butyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(1-benzylpyrrol-2-yl)methyl-butylcarbamoyl]amino]acetate Traditional Name: 2-[[(1-benzylpyrrol-2-yl)methyl-butyl-carbamoyl]amino]acetic acid ethyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)NCC(=O)OCC

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)NCC(=O)OCC

InChI

InChI=1S/C21H29N3O3/c1-3-5-13-24(21(26)22-15-20(25)27-4-2)17-19-12-9-14-23(19)16-18-10-7-6-8-11-18/h6-12,14H,3-5,13,15-17H2,1-2H3,(H,22,26)