methyl 2-[1-[3-[(4-carbamimidoylphenyl)carbonylamino]-3-(3-chlorophenyl)-2,2-dimethyl-propanoyl]piperidin-4-yl]ethanoate

Systemtic Name: methyl 2-[1-[3-[(4-carbamimidoylphenyl)carbonylamino]-3-(3-chlorophenyl)-2,2-dimethyl-propanoyl]piperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-[3-[(4-carbamimidoylbenzoyl)amino]-3-(3-chlorophenyl)-2,2-dimethyl-propanoyl]-4-piperidyl]acetate CAS Name: 2-[1-[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-(3-chlorophenyl)-2,2-dimethyl-1-oxopropyl]-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[3-[(4-carbamimidoylbenzoyl)amino]-3-(3-chlorophenyl)-2,2-dimethylpropanoyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[3-[(4-amidinobenzoyl)amino]-3-(3-chlorophenyl)-2,2-dimethyl-propanoyl]-4-piperidyl]acetic acid methyl ester Formula: C27H33ClN4O4 MolecularWeight: 513.02832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC(=CC=C1)Cl)NC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)N3CCC(CC3)CC(=O)OC

Isomeric SMILES

CC(C)(C(C1=CC(=CC=C1)Cl)NC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)N3CCC(CC3)CC(=O)OC

InChI

InChI=1S/C27H33ClN4O4/c1-27(2,26(35)32-13-11-17(12-14-32)15-22(33)36-3)23(20-5-4-6-21(28)16-20)31-25(34)19-9-7-18(8-10-19)24(29)30/h4-10,16-17,23H,11-15H2,1-3H3,(H3,29,30)(H,31,34)