aminomethyl 2-[2-(pentanoylamino)pyrimidin-4-yl]benzoate; 2,3-dihydro-1H-indole

Systemtic Name: aminomethyl 2-[2-(pentanoylamino)pyrimidin-4-yl]benzoate; 2,3-dihydro-1H-indole Openeye Name: aminomethyl 2-[2-(pentanoylamino)pyrimidin-4-yl]benzoate; indoline CAS Name: 2,3-dihydro-1H-indole; 2-[2-(1-oxopentylamino)-4-pyrimidinyl]benzoic acid aminomethyl ester IUPAC Name: aminomethyl 2-[2-(pentanoylamino)pyrimidin-4-yl]benzoate; 2,3-dihydro-1H-indole Traditional Name: indoline; 2-[2-(valerylamino)pyrimidin-4-yl]benzoic acid aminomethyl ester Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=NC=CC(=N1)C2=CC=CC=C2C(=O)OCN.C1CNC2=CC=CC=C21

Isomeric SMILES

CCCCC(=O)NC1=NC=CC(=N1)C2=CC=CC=C2C(=O)OCN.C1CNC2=CC=CC=C21

InChI

InChI=1S/C17H20N4O3.C8H9N/c1-2-3-8-15(22)21-17-19-10-9-14(20-17)12-6-4-5-7-13(12)16(23)24-11-18;1-2-4-8-7(3-1)5-6-9-8/h4-7,9-10H,2-3,8,11,18H2,1H3,(H,19,20,21,22);1-4,9H,5-6H2