(1S,3S)-1,2,2-trimethyl-3-[(quinazolin-4-ylamino)carbamoyl]cyclopentane-1-carboxylic acid

Systemtic Name: (1S,3S)-1,2,2-trimethyl-3-[(quinazolin-4-ylamino)carbamoyl]cyclopentane-1-carboxylic acid Openeye Name: (1S,3S)-1,2,2-trimethyl-3-[(quinazolin-4-ylamino)carbamoyl]cyclopentanecarboxylic acid CAS Name: (1S,3S)-1,2,2-trimethyl-3-[oxo-(4-quinazolinylhydrazo)methyl]-1-cyclopentanecarboxylic acid IUPAC Name: (1S,3S)-1,2,2-trimethyl-3-[(quinazolin-4-ylamino)carbamoyl]cyclopentane-1-carboxylic acid Traditional Name: (1S,3S)-1,2,2-trimethyl-3-[(quinazolin-4-ylamino)carbamoyl]cyclopentanecarboxylic acid Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)O)C(=O)NNC2=NC=NC3=CC=CC=C32)C

Isomeric SMILES

C[C@@]1(CC[C@@H](C1(C)C)C(=O)NNC2=NC=NC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C18H22N4O3/c1-17(2)12(8-9-18(17,3)16(24)25)15(23)22-21-14-11-6-4-5-7-13(11)19-10-20-14/h4-7,10,12H,8-9H2,1-3H3,(H,22,23)(H,24,25)(H,19,20,21)/t12-,18-/m1/s1