3-[1-(1-azanyl-1-oxidanylidene-propan-2-yl)piperidin-4-yl]-1-[(3-methoxyphenyl)methyl]pyrrole-2-carboxylic acid

Systemtic Name: 3-[1-(1-azanyl-1-oxidanylidene-propan-2-yl)piperidin-4-yl]-1-[(3-methoxyphenyl)methyl]pyrrole-2-carboxylic acid Openeye Name: 3-[1-(2-amino-1-methyl-2-oxo-ethyl)-4-piperidyl]-1-[(3-methoxyphenyl)methyl]pyrrole-2-carboxylic acid CAS Name: 3-[1-(1-amino-1-oxopropan-2-yl)-4-piperidinyl]-1-[(3-methoxyphenyl)methyl]-2-pyrrolecarboxylic acid IUPAC Name: 3-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]-1-[(3-methoxyphenyl)methyl]pyrrole-2-carboxylic acid Traditional Name: 3-[1-(2-amino-2-keto-1-methyl-ethyl)-4-piperidyl]-1-m-anisyl-pyrrole-2-carboxylic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1CCC(CC1)C2=C(N(C=C2)CC3=CC(=CC=C3)OC)C(=O)O

Isomeric SMILES

CC(C(=O)N)N1CCC(CC1)C2=C(N(C=C2)CC3=CC(=CC=C3)OC)C(=O)O

InChI

InChI=1S/C21H27N3O4/c1-14(20(22)25)23-9-6-16(7-10-23)18-8-11-24(19(18)21(26)27)13-15-4-3-5-17(12-15)28-2/h3-5,8,11-12,14,16H,6-7,9-10,13H2,1-2H3,(H2,22,25)(H,26,27)