4-methoxybenzoic acid; 1-(2-methylphenyl)-3-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea

Systemtic Name: 4-methoxybenzoic acid; 1-(2-methylphenyl)-3-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea Openeye Name: 4-methoxybenzoic acid; 1-(o-tolyl)-3-[3-(1-propyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea CAS Name: 4-methoxybenzoic acid; 1-(2-methylphenyl)-3-[3-(1-propyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea IUPAC Name: 4-methoxybenzoic acid; 1-(2-methylphenyl)-3-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea Traditional Name: 1-(o-tolyl)-3-[3-(1-propyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea; p-anisic acid Formula: C31H37N5O4 MolecularWeight: 543.65658

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)C2=CNC3=C2N=C(C=C3)NC(=O)NC4=CC=CC=C4C.COC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCN1CCC(CC1)C2=CNC3=C2N=C(C=C3)NC(=O)NC4=CC=CC=C4C.COC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C23H29N5O.C8H8O3/c1-3-12-28-13-10-17(11-14-28)18-15-24-20-8-9-21(26-22(18)20)27-23(29)25-19-7-5-4-6-16(19)2;1-11-7-4-2-6(3-5-7)8(9)10/h4-9,15,17,24H,3,10-14H2,1-2H3,(H2,25,26,27,29);2-5H,1H3,(H,9,10)