methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(3-methyl-1-pyrrolidin-1-yl-butan-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(3-methyl-1-pyrrolidin-1-yl-butan-2-yl)carbamoyl]benzoate Openeye Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[[2-methyl-1-(pyrrolidin-1-ylmethyl)propyl]carbamoyl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[[3-methyl-1-(1-pyrrolidinyl)butan-2-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)carbamoyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[[2-methyl-1-(pyrrolidinomethyl)propyl]carbamoyl]benzoic acid methyl ester Formula: C32H37N5O4 MolecularWeight: 555.66728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN1CCCC1)NC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)OC

Isomeric SMILES

CC(C)C(CN1CCCC1)NC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)OC

InChI

InChI=1S/C32H37N5O4/c1-20(2)28(19-37-16-6-7-17-37)36-30(38)22-12-15-25(27(18-22)32(40)41-3)24-8-4-5-9-26(24)31(39)35-23-13-10-21(11-14-23)29(33)34/h4-5,8-15,18,20,28H,6-7,16-17,19H2,1-3H3,(H3,33,34)(H,35,39)(H,36,38)