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

Systemtic Name: methyl 4-[[5-azanyl-1-(3-quinolin-2-ylpropyl)indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-amino-1-[3-(2-quinolyl)propyl]indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-amino-1-[3-(2-quinolinyl)propyl]-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-amino-1-(3-quinolin-2-ylpropyl)indol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-amino-1-[3-(2-quinolyl)propyl]indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C30H29N3O3 MolecularWeight: 479.56956

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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)CCCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)N)CCCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H29N3O3/c1-35-29-17-22(30(34)36-2)10-9-21(29)16-23-19-33(28-14-12-24(31)18-26(23)28)15-5-7-25-13-11-20-6-3-4-8-27(20)32-25/h3-4,6,8-14,17-19H,5,7,15-16,31H2,1-2H3