ethyl 2-[1-[[1-(phenylmethyl)pyrrol-2-yl]methylcarbamoylamino]cyclohexyl]ethanoate

Systemtic Name: ethyl 2-[1-[[1-(phenylmethyl)pyrrol-2-yl]methylcarbamoylamino]cyclohexyl]ethanoate Openeye Name: ethyl 2-[1-[(1-benzylpyrrol-2-yl)methylcarbamoylamino]cyclohexyl]acetate CAS Name: 2-[1-[[oxo-[[1-(phenylmethyl)-2-pyrrolyl]methylamino]methyl]amino]cyclohexyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(1-benzylpyrrol-2-yl)methylcarbamoylamino]cyclohexyl]acetate Traditional Name: 2-[1-[(1-benzylpyrrol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid ethyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CCCCC1)NC(=O)NCC2=CC=CN2CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1(CCCCC1)NC(=O)NCC2=CC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3/c1-2-29-21(27)16-23(13-7-4-8-14-23)25-22(28)24-17-20-12-9-15-26(20)18-19-10-5-3-6-11-19/h3,5-6,9-12,15H,2,4,7-8,13-14,16-18H2,1H3,(H2,24,25,28)