methyl 4-[[5-azanyl-1-(naphthalen-2-ylmethyl)indol-3-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[5-azanyl-1-(naphthalen-2-ylmethyl)indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-amino-1-(2-naphthylmethyl)indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-amino-1-(2-naphthalenylmethyl)-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-amino-1-(naphthalen-2-ylmethyl)indol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-amino-1-(2-naphthylmethyl)indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C29H26N2O3 MolecularWeight: 450.52834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)N)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)N)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H26N2O3/c1-33-28-15-23(29(32)34-2)10-9-22(28)14-24-18-31(27-12-11-25(30)16-26(24)27)17-19-7-8-20-5-3-4-6-21(20)13-19/h3-13,15-16,18H,14,17,30H2,1-2H3