5-[(4-methoxyphenyl)carbonylamino]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[(4-methoxyphenyl)carbonylamino]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-[(4-methoxybenzoyl)amino]-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 5-[[(4-methoxyphenyl)-oxomethyl]amino]-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[(4-methoxybenzoyl)amino]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]-5-(p-anisoylamino)nicotinic acid Formula: C24H29N5O5 MolecularWeight: 467.51756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CN=C(C(=C2)C(=O)O)N3CCN(CC3)CC(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CN=C(C(=C2)C(=O)O)N3CCN(CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C24H29N5O5/c1-34-19-6-4-17(5-7-19)23(31)26-18-14-20(24(32)33)22(25-15-18)29-12-10-27(11-13-29)16-21(30)28-8-2-3-9-28/h4-7,14-15H,2-3,8-13,16H2,1H3,(H,26,31)(H,32,33)