ethyl 4-[(Z)-3-(butan-2-ylamino)prop-1-enyl]-1-phenyl-isoquinoline-3-carboxylate

Systemtic Name: ethyl 4-[(Z)-3-(butan-2-ylamino)prop-1-enyl]-1-phenyl-isoquinoline-3-carboxylate Openeye Name: ethyl 1-phenyl-4-[(Z)-3-(sec-butylamino)prop-1-enyl]isoquinoline-3-carboxylate CAS Name: 4-[(Z)-3-(butan-2-ylamino)prop-1-enyl]-1-phenyl-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(Z)-3-(butan-2-ylamino)prop-1-enyl]-1-phenylisoquinoline-3-carboxylate Traditional Name: 1-phenyl-4-[(Z)-3-(sec-butylamino)prop-1-enyl]isoquinoline-3-carboxylic acid ethyl ester Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC=CC1=C(N=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(C)NC/C=C\C1=C(N=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H28N2O2/c1-4-18(3)26-17-11-16-22-20-14-9-10-15-21(20)23(19-12-7-6-8-13-19)27-24(22)25(28)29-5-2/h6-16,18,26H,4-5,17H2,1-3H3/b16-11-