2-(aminocarbonylamino)-4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-5-naphthalen-1-yl-benzene-1,3-dicarboxylic acid

Systemtic Name: 2-(aminocarbonylamino)-4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-5-naphthalen-1-yl-benzene-1,3-dicarboxylic acid Openeye Name: 4-[6-(morpholinomethyl)-3-pyridyl]-5-(1-naphthyl)-2-ureido-benzene-1,3-dicarboxylic acid CAS Name: 2-(carbamoylamino)-4-[6-(4-morpholinylmethyl)-3-pyridinyl]-5-(1-naphthalenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2-(carbamoylamino)-4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-5-naphthalen-1-ylbenzene-1,3-dicarboxylic acid Traditional Name: 4-[6-(morpholinomethyl)-3-pyridyl]-5-(1-naphthyl)-2-ureido-isophthalic acid Formula: C29H26N4O6 MolecularWeight: 526.53994

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NC=C(C=C2)C3=C(C(=C(C=C3C4=CC=CC5=CC=CC=C54)C(=O)O)NC(=O)N)C(=O)O

Isomeric SMILES

C1COCCN1CC2=NC=C(C=C2)C3=C(C(=C(C=C3C4=CC=CC5=CC=CC=C54)C(=O)O)NC(=O)N)C(=O)O

InChI

InChI=1S/C29H26N4O6/c30-29(38)32-26-23(27(34)35)14-22(21-7-3-5-17-4-1-2-6-20(17)21)24(25(26)28(36)37)18-8-9-19(31-15-18)16-33-10-12-39-13-11-33/h1-9,14-15H,10-13,16H2,(H,34,35)(H,36,37)(H3,30,32,38)