ethyl 1-phenyl-4-[(Z)-3-[(phenylmethyl)amino]prop-1-enyl]isoquinoline-3-carboxylate

Systemtic Name: ethyl 1-phenyl-4-[(Z)-3-[(phenylmethyl)amino]prop-1-enyl]isoquinoline-3-carboxylate Openeye Name: ethyl 4-[(Z)-3-(benzylamino)prop-1-enyl]-1-phenyl-isoquinoline-3-carboxylate CAS Name: 1-phenyl-4-[(Z)-3-[(phenylmethyl)amino]prop-1-enyl]-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(Z)-3-(benzylamino)prop-1-enyl]-1-phenylisoquinoline-3-carboxylate Traditional Name: 4-[(Z)-3-(benzylamino)prop-1-enyl]-1-phenyl-isoquinoline-3-carboxylic acid ethyl ester Formula: C28H26N2O2 MolecularWeight: 422.51824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C=CCNCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)/C=C\CNCC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O2/c1-2-32-28(31)27-25(18-11-19-29-20-21-12-5-3-6-13-21)23-16-9-10-17-24(23)26(30-27)22-14-7-4-8-15-22/h3-18,29H,2,19-20H2,1H3/b18-11-