methyl 3-[(2-methylpropylamino)methyl]-1-[2-(phenylmethyl)butyl]indole-5-carboxylate

Systemtic Name: methyl 3-[(2-methylpropylamino)methyl]-1-[2-(phenylmethyl)butyl]indole-5-carboxylate Openeye Name: methyl 1-(2-benzylbutyl)-3-[(isobutylamino)methyl]indole-5-carboxylate CAS Name: 3-[(2-methylpropylamino)methyl]-1-[2-(phenylmethyl)butyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-benzylbutyl)-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Traditional Name: 1-(2-benzylbutyl)-3-[(isobutylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C26H34N2O2 MolecularWeight: 406.56036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNCC(C)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)CN2C=C(C3=C2C=CC(=C3)C(=O)OC)CNCC(C)C

InChI

InChI=1S/C26H34N2O2/c1-5-20(13-21-9-7-6-8-10-21)17-28-18-23(16-27-15-19(2)3)24-14-22(26(29)30-4)11-12-25(24)28/h6-12,14,18-20,27H,5,13,15-17H2,1-4H3