(3-carboxy-6-phenylmethoxy-naphthalen-2-yl)-ethanoyl-methyl-phenethyl-azanium

Systemtic Name: (3-carboxy-6-phenylmethoxy-naphthalen-2-yl)-ethanoyl-methyl-phenethyl-azanium Openeye Name: acetyl-(6-benzyloxy-3-carboxy-2-naphthyl)-methyl-phenethyl-ammonium CAS Name: acetyl-(3-carboxy-6-phenylmethoxy-2-naphthalenyl)-methyl-phenethylammonium IUPAC Name: acetyl-(3-carboxy-6-phenylmethoxynaphthalen-2-yl)-methyl-phenethylazanium Traditional Name: acetyl-(6-benzoxy-3-carboxy-2-naphthyl)-methyl-phenethyl-ammonium Formula: C29H28NO4+ MolecularWeight: 454.53692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+](C)(CCC1=CC=CC=C1)C2=C(C=C3C=C(C=CC3=C2)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(=O)[N+](C)(CCC1=CC=CC=C1)C2=C(C=C3C=C(C=CC3=C2)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H27NO4/c1-21(31)30(2,16-15-22-9-5-3-6-10-22)28-19-24-13-14-26(17-25(24)18-27(28)29(32)33)34-20-23-11-7-4-8-12-23/h3-14,17-19H,15-16,20H2,1-2H3/p+1