[(2S)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [(2S)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [(1S)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [(1S)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2CCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1CCCC1)OC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

InChI

InChI=1S/C20H29N3O4/c1-13(2)22-20(26)21-12-15-8-10-16(11-9-15)19(25)27-14(3)18(24)23-17-6-4-5-7-17/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,23,24)(H2,21,22,26)/t14-/m0/s1