6-[1-[4-(diphenylmethyl)piperazin-1-yl]-4-(prop-2-enoylamino)butan-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[1-[4-(diphenylmethyl)piperazin-1-yl]-4-(prop-2-enoylamino)butan-2-yl]pyridine-3-carboxylic acid Openeye Name: 6-[1-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(prop-2-enoylamino)propyl]pyridine-3-carboxylic acid CAS Name: 6-[1-[4-(diphenylmethyl)-1-piperazinyl]-4-(1-oxoprop-2-enylamino)butan-2-yl]-3-pyridinecarboxylic acid IUPAC Name: 6-[1-(4-benzhydrylpiperazin-1-yl)-4-(prop-2-enoylamino)butan-2-yl]pyridine-3-carboxylic acid Traditional Name: 6-[3-acrylamido-1-[(4-benzhydrylpiperazino)methyl]propyl]nicotinic acid Formula: C30H34N4O3 MolecularWeight: 498.61596

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCC(CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=C(C=C4)C(=O)O

Isomeric SMILES

C=CC(=O)NCCC(CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C30H34N4O3/c1-2-28(35)31-16-15-26(27-14-13-25(21-32-27)30(36)37)22-33-17-19-34(20-18-33)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h2-14,21,26,29H,1,15-20,22H2,(H,31,35)(H,36,37)