ethyl 3-(4-tert-butylphenyl)-5-(cyclopropylmethylcarbamoylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylate

Systemtic Name: ethyl 3-(4-tert-butylphenyl)-5-(cyclopropylmethylcarbamoylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylate Openeye Name: ethyl 3-(4-tert-butylphenyl)-5-(cyclopropylmethylcarbamoylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylate CAS Name: 3-(4-tert-butylphenyl)-5-[[(cyclopropylmethylamino)-oxomethyl]amino]-1-[(3-methoxyphenyl)methyl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-tert-butylphenyl)-5-(cyclopropylmethylcarbamoylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylate Traditional Name: 3-(4-tert-butylphenyl)-5-(cyclopropylmethylcarbamoylamino)-1-m-anisyl-indole-2-carboxylic acid ethyl ester Formula: C34H39N3O4 MolecularWeight: 553.69116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1CC3=CC(=CC=C3)OC)C=CC(=C2)NC(=O)NCC4CC4)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1CC3=CC(=CC=C3)OC)C=CC(=C2)NC(=O)NCC4CC4)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C34H39N3O4/c1-6-41-32(38)31-30(24-12-14-25(15-13-24)34(2,3)4)28-19-26(36-33(39)35-20-22-10-11-22)16-17-29(28)37(31)21-23-8-7-9-27(18-23)40-5/h7-9,12-19,22H,6,10-11,20-21H2,1-5H3,(H2,35,36,39)