2-methylpropyl N-[4-[(E)-3-(4-piperidin-1-ylquinolin-2-yl)prop-2-enoyl]phenyl]carbamate

Systemtic Name: 2-methylpropyl N-[4-[(E)-3-(4-piperidin-1-ylquinolin-2-yl)prop-2-enoyl]phenyl]carbamate Openeye Name: isobutyl N-[4-[(E)-3-[4-(1-piperidyl)-2-quinolyl]prop-2-enoyl]phenyl]carbamate CAS Name: N-[4-[(E)-1-oxo-3-[4-(1-piperidinyl)-2-quinolinyl]prop-2-enyl]phenyl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[4-[(E)-3-(4-piperidin-1-ylquinolin-2-yl)prop-2-enoyl]phenyl]carbamate Traditional Name: N-[4-[(E)-3-(4-piperidino-2-quinolyl)acryloyl]phenyl]carbamic acid isobutyl ester Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC1=CC=C(C=C1)C(=O)C=CC2=NC3=CC=CC=C3C(=C2)N4CCCCC4

Isomeric SMILES

CC(C)COC(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=NC3=CC=CC=C3C(=C2)N4CCCCC4

InChI

InChI=1S/C28H31N3O3/c1-20(2)19-34-28(33)30-22-12-10-21(11-13-22)27(32)15-14-23-18-26(31-16-6-3-7-17-31)24-8-4-5-9-25(24)29-23/h4-5,8-15,18,20H,3,6-7,16-17,19H2,1-2H3,(H,30,33)/b15-14+