methyl 2-[(2-azanyl-2-cyclohexyl-ethanoyl)amino]-3-[3-(5-azanylpentoxy)phenyl]propanoate

Systemtic Name: methyl 2-[(2-azanyl-2-cyclohexyl-ethanoyl)amino]-3-[3-(5-azanylpentoxy)phenyl]propanoate Openeye Name: methyl 2-[(2-amino-2-cyclohexyl-acetyl)amino]-3-[3-(5-aminopentoxy)phenyl]propanoate CAS Name: 2-[(2-amino-2-cyclohexyl-1-oxoethyl)amino]-3-[3-(5-aminopentoxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-2-cyclohexylacetyl)amino]-3-[3-(5-aminopentoxy)phenyl]propanoate Traditional Name: 2-[(2-amino-2-cyclohexyl-acetyl)amino]-3-[3-(5-aminopentoxy)phenyl]propionic acid methyl ester Formula: C23H37N3O4 MolecularWeight: 419.55758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=CC=C1)OCCCCCN)NC(=O)C(C2CCCCC2)N

Isomeric SMILES

COC(=O)C(CC1=CC(=CC=C1)OCCCCCN)NC(=O)C(C2CCCCC2)N

InChI

InChI=1S/C23H37N3O4/c1-29-23(28)20(26-22(27)21(25)18-10-4-2-5-11-18)16-17-9-8-12-19(15-17)30-14-7-3-6-13-24/h8-9,12,15,18,20-21H,2-7,10-11,13-14,16,24-25H2,1H3,(H,26,27)