2-[4-(3-aminocarbonylphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-4-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4-(3-aminocarbonylphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-carbamoylphenyl)-1-[(4-propoxyphenyl)methyl]-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-carbamoylphenyl)-1-[(4-propoxyphenyl)methyl]-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-carbamoylphenyl)-1-[(4-propoxyphenyl)methyl]piperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-carbamoylphenyl)-1-(4-propoxybenzyl)-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CN2CCC(CC2)(C3=CC=CC(=C3)C(=O)N)C4=NC=C(C=N4)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)CN2CCC(CC2)(C3=CC=CC(=C3)C(=O)N)C4=NC=C(C=N4)C(=O)O

InChI

InChI=1S/C27H30N4O4/c1-2-14-35-23-8-6-19(7-9-23)18-31-12-10-27(11-13-31,22-5-3-4-20(15-22)24(28)32)26-29-16-21(17-30-26)25(33)34/h3-9,15-17H,2,10-14,18H2,1H3,(H2,28,32)(H,33,34)