1-(3,6-ditert-butyl-2-methoxy-naphthalen-1-yl)isoquinoline

Systemtic Name: 1-(3,6-ditert-butyl-2-methoxy-naphthalen-1-yl)isoquinoline Openeye Name: 1-(3,6-ditert-butyl-2-methoxy-1-naphthyl)isoquinoline CAS Name: 1-(3,6-ditert-butyl-2-methoxy-1-naphthalenyl)isoquinoline IUPAC Name: 1-(3,6-ditert-butyl-2-methoxynaphthalen-1-yl)isoquinoline Traditional Name: 1-(3,6-ditert-butyl-2-methoxy-1-naphthyl)isoquinoline Formula: C28H31NO MolecularWeight: 397.55184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC(=C(C(=C2C=C1)C3=NC=CC4=CC=CC=C43)OC)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC2=CC(=C(C(=C2C=C1)C3=NC=CC4=CC=CC=C43)OC)C(C)(C)C

InChI

InChI=1S/C28H31NO/c1-27(2,3)20-12-13-21-19(16-20)17-23(28(4,5)6)26(30-7)24(21)25-22-11-9-8-10-18(22)14-15-29-25/h8-17H,1-7H3